Michal Otyepka

Michal Otyepka's AcademicInfluence.com Rankings

Michal Otyepka

Chemistry

#3686

World Rank

#4725

Historical Rank

Physical Chemistry

#517

World Rank

#568

Historical Rank

chemistry Degrees

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Chemistry

Michal Otyepka's Degrees

PhD Chemistry Masaryk University
Masters Chemistry Masaryk University
Bachelors Chemistry Masaryk University

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Michal Otyepka's Published Works

Number of citations in a given year to any of this author's works

Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author

Published Works

Functionalization of graphene: covalent and non-covalent approaches, derivatives and applications. (2012) (3254)
Refinement of the Cornell et al. Nucleic Acids Force Field Based on Reference Quantum Chemical Calculations of Glycosidic Torsion Profiles (2011) (710)
CAVER: a new tool to explore routes from protein clefts, pockets and cavities (2006) (520)
Graphitic Nitrogen Triggers Red Fluorescence in Carbon Dots. (2017) (401)
Adsorption of small organic molecules on graphene. (2013) (382)
Graphene Fluoride: A Stable Stoichiometric Graphene Derivative and its Chemical Conversion to Graphene (2010) (368)
RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview (2018) (322)
Stabilizing and Modulating Color by Copigmentation: Insights from Theory and Experiment. (2016) (316)
Biomimetic Superhydrophobic/Superoleophilic Highly Fluorinated Graphene Oxide and ZIF-8 Composites for Oil-Water Separation. (2016) (314)
Halogenated graphenes: rapidly growing family of graphene derivatives. (2013) (313)
Performance of Molecular Mechanics Force Fields for RNA Simulations: Stability of UUCG and GNRA Hairpins. (2010) (311)
Refinement of the Sugar-Phosphate Backbone Torsion Beta for AMBER Force Fields Improves the Description of Z- and B-DNA. (2015) (299)
Assessing the Current State of Amber Force Field Modifications for DNA (2016) (270)
MOLE 2.0: advanced approach for analysis of biomacromolecular channels (2013) (248)
MOLE: a Voronoi diagram-based explorer of molecular channels, pores, and tunnels. (2007) (243)
Redesigning dehalogenase access tunnels as a strategy for degrading an anthropogenic substrate. (2009) (242)
Toward Improved Description of DNA Backbone: Revisiting Epsilon and Zeta Torsion Force Field Parameters. (2013) (226)
Reference simulations of noncanonical nucleic acids with different χ variants of the AMBER force field: quadruplex DNA, quadruplex RNA and Z-DNA. (2012) (208)
Photoluminescence effects of graphitic core size and surface functional groups in carbon dots: COO− induced red-shift emission (2014) (201)
Chemistry, properties, and applications of fluorographene (2017) (184)
Graphitic Nitrogen Doping in Carbon Dots Causes Red-Shifted Absorption (2016) (170)
Doping with Graphitic Nitrogen Triggers Ferromagnetism in Graphene (2017) (158)
Photoluminescent Carbon Nanostructures (2016) (156)
Molecular Dynamics and Quantum Mechanics of RNA: Conformational and Chemical Change We Can Believe In (2009) (154)
Modelling of graphene functionalization. (2016) (152)
MOLEonline: a web-based tool for analyzing channels, tunnels and pores (2018 update) (2018) (149)
Molecular Dynamics Simulations of Nucleic Acids. From Tetranucleotides to the Ribosome. (2014) (135)
What common structural features and variations of mammalian P450s are known to date? (2007) (132)
Membrane Position of Ibuprofen Agrees with Suggested Access Path Entrance to Cytochrome P450 2C9 Active Site (2011) (129)
Band Gaps and Optical Spectra of Chlorographene, Fluorographene and Graphane from G0W0, GW0 and GW Calculations on Top of PBE and HSE06 Orbitals. (2013) (127)
Base Pair Fraying in Molecular Dynamics Simulations of DNA and RNA. (2014) (120)
Positioning of antioxidant quercetin and its metabolites in lipid bilayer membranes: implication for their lipid-peroxidation inhibition. (2012) (115)
MOLEonline 2.0: interactive web-based analysis of biomacromolecular channels (2012) (113)
Cyanographene and Graphene Acid: Emerging Derivatives Enabling High-Yield and Selective Functionalization of Graphene (2017) (112)
Spectroscopic Fingerprints of Graphitic, Pyrrolic, Pyridinic, and Chemisorbed Nitrogen in N-Doped Graphene (2019) (109)
Flexibility of human cytochromes P450: molecular dynamics reveals differences between CYPs 3A4, 2C9, and 2A6, which correlate with their substrate preferences. (2008) (107)
Anaerobic Reaction of Nanoscale Zerovalent Iron with Water: Mechanism and Kinetics (2014) (104)
Nature and magnitude of aromatic base stacking in DNA and RNA: Quantum chemistry, molecular mechanics, and experiment. (2013) (104)
Covalent Graphene‐MOF Hybrids for High‐Performance Asymmetric Supercapacitors (2020) (104)
Computer Folding of RNA Tetraloops: Identification of Key Force Field Deficiencies. (2016) (102)
Environmental applications of chemically pure natural ferrihydrite. (2007) (100)
Band gaps and structural properties of graphene halides and their derivates: a hybrid functional study with localized orbital basis sets. (2012) (100)
Human virus detection with graphene-based materials (2020) (96)
Convergence of Free Energy Profile of Coumarin in Lipid Bilayer (2012) (93)
Room temperature organic magnets derived from sp3 functionalized graphene (2017) (93)
Membrane-attached mammalian cytochromes P450: An overview of the membrane's effects on structure, drug binding, and interactions with redox partners. (2018) (91)
The Nature of the Binding of Au, Ag, and Pd to Benzene, Coronene, and Graphene: From Benchmark CCSD(T) Calculations to Plane-Wave DFT Calculations (2011) (91)
Mixed‐Valence Single‐Atom Catalyst Derived from Functionalized Graphene (2019) (88)
Explicit Water Models Affect the Specific Solvation and Dynamics of Unfolded Peptides While the Conformational Behavior and Flexibility of Folded Peptides Remain Intact. (2010) (88)
Reactivity of Fluorographene: A Facile Way toward Graphene Derivatives. (2015) (88)
Shape‐Assisted 2D MOF/Graphene Derived Hybrids as Exceptional Lithium‐Ion Battery Electrodes (2019) (87)
Behavior of human cytochromes P450 on lipid membranes. (2013) (86)
Anatomy of enzyme channels (2014) (86)
Hydrophobic Metal–Organic Frameworks (2019) (86)
Activation and inhibition of cyclin‐dependent kinase‐2 by phosphorylation; a molecular dynamics study reveals the functional importance of the glycine‐rich loop (2004) (85)
Crystal structure of haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26 at 0.95 A resolution: dynamics of catalytic residues. (2004) (82)
Amphiphilic drug-like molecules accumulate in a membrane below the head group region. (2014) (82)
Nature of Absorption Bands in Oxygen-Functionalized Graphitic Carbon Dots (2015) (81)
Thiofluorographene–Hydrophilic Graphene Derivative with Semiconducting and Genosensing Properties (2015) (81)
Sulfur Doping Induces Strong Ferromagnetic Ordering in Graphene: Effect of Concentration and Substitution Mechanism (2016) (81)
Folding of guanine quadruplex molecules-funnel-like mechanism or kinetic partitioning? An overview from MD simulation studies. (2016) (81)
Quantum Monte Carlo Methods Describe Noncovalent Interactions with Subchemical Accuracy. (2013) (80)
Computer Folding of RNA Tetraloops? Are We There Yet? (2013) (80)
Extensive molecular dynamics simulations showing that canonical G8 and protonated A38H+ forms are most consistent with crystal structures of hairpin ribozyme. (2010) (78)
The DNA and RNA sugar-phosphate backbone emerges as the key player. An overview of quantum-chemical, structural biology and simulation studies. (2012) (78)
Chemical nature of boron and nitrogen dopant atoms in graphene strongly influences its electronic properties. (2014) (76)
Theoretical studies of RNA catalysis: hybrid QM/MM methods and their comparison with MD and QM. (2009) (76)
Improving the Performance of the Amber RNA Force Field by Tuning the Hydrogen-Bonding Interactions. (2019) (74)
A high efficiency H2S gas sensor material: paper like Fe2O3/graphene nanosheets and structural alignment dependency of device efficiency (2014) (74)
Large-scale compensation of errors in pairwise-additive empirical force fields: comparison of AMBER intermolecular terms with rigorous DFT-SAPT calculations. (2010) (73)
Semiempirical quantum mechanical method PM6-DH2X describes the geometry and energetics of CK2-inhibitor complexes involving halogen bonds well, while the empirical potential fails. (2011) (72)
Quaternized carbon dot-modified graphene oxide for selective cell labelling--controlled nucleus and cytoplasm imaging. (2014) (70)
Can We Accurately Describe the Structure of Adenine Tracts in B-DNA? Reference Quantum-Chemical Computations Reveal Overstabilization of Stacking by Molecular Mechanics. (2012) (69)
Benchmarking of Force Fields for Molecule-Membrane Interactions. (2014) (67)
Force-field dependence of chignolin folding and misfolding: comparison with experiment and redesign. (2012) (66)
Is Single Layer MoS2 Stable in the Air? (2017) (66)
Docking-based development of purine-like inhibitors of cyclin-dependent kinase-2. (2000) (66)
Quantification of the interaction forces between metals and graphene by quantum chemical calculations and dynamic force measurements under ambient conditions. (2013) (62)
Flexibility of human cytochrome P450 enzymes: molecular dynamics and spectroscopy reveal important function-related variations. (2011) (62)
Dependence of A-RNA simulations on the choice of the force field and salt strength. (2009) (61)
Synergism of antioxidant action of vitamins E, C and quercetin is related to formation of molecular associations in biomembranes. (2015) (60)
Hydrophilic Nanotube Supported Graphene–Water Dispersible Carbon Superstructure with Excellent Conductivity (2015) (60)
Can We Execute Stable Microsecond-Scale Atomistic Simulations of Protein-RNA Complexes? (2015) (60)
Identification of tunnels in proteins, nucleic acids, inorganic materials and molecular ensembles (2007) (58)
Simulations of A-RNA duplexes. The effect of sequence, solute force field, water model, and salt concentration. (2012) (57)
High-Yield Alkylation and Arylation of Graphene via Grignard Reaction with Fluorographene (2017) (56)
Recent Progress in Emerging Two-Dimensional Transition Metal Carbides (2021) (55)
Fluorinated graphenes as advanced biosensors - effect of fluorine coverage on electron transfer properties and adsorption of biomolecules. (2016) (54)
Functional Nanosheet Synthons by Covalent Modification of Transition-Metal Dichalcogenides (2017) (54)
Is there a relationship between the substrate preferences and structural flexibility of cytochromes P450? (2012) (54)
Comparison of ab Initio, DFT, and Semiempirical QM/MM Approaches for Description of Catalytic Mechanism of Hairpin Ribozyme. (2014) (54)
Non-covalent control of spin-state in metal-organic complex by positioning on N-doped graphene (2018) (54)
Protonation states of the key active site residues and structural dynamics of the glmS riboswitch as revealed by molecular dynamics. (2010) (53)
Covalently functionalized graphene as a supercapacitor electrode material (2019) (52)
Molecular insight into affinities of drugs and their metabolites to lipid bilayers. (2013) (51)
Water dispersible functionalized graphene fluoride with significant nonlinear optical response (2012) (51)
In Silico Structural and Functional Analysis of Fragments of the Ankyrin Repeat Protein p18INK4c (2010) (51)
How to understand atomistic molecular dynamics simulations of RNA and protein–RNA complexes? (2017) (48)
Insights into Stability and Folding of GNRA and UNCG Tetraloops Revealed by Microsecond Molecular Dynamics and Well-Tempered Metadynamics. (2015) (47)
Malonate-based inhibitors of mammalian serine racemase: kinetic characterization and structure-based computational study. (2015) (47)
Effect of Monovalent Ion Parameters on Molecular Dynamics Simulations of G-Quadruplexes. (2017) (46)
Transferable scoring function based on semiempirical quantum mechanical PM6-DH2 method: CDK2 with 15 structurally diverse inhibitors (2011) (45)
In silico pharmacology: Drug membrane partitioning and crossing. (2016) (44)
Dynamics and hydration of the active sites of mammalian cytochromes P450 probed by molecular dynamics simulations. (2012) (44)
Organic adsorbates have higher affinities to fluorographene than to graphene (2016) (44)
The surface and structural properties of graphite fluoride (2015) (44)
Band gaps and optical spectra from single‐ and double‐layer fluorographene to graphite fluoride: many‐body effects and excitonic states (2014) (44)
Hairpins participating in folding of human telomeric sequence quadruplexes studied by standard and T-REMD simulations (2015) (44)
Molecular mechanism of preQ1 riboswitch action: a molecular dynamics study. (2012) (43)
Structural Changes in Ceramide Bilayers Rationalize Increased Permeation through Stratum Corneum Models with Shorter Acyl Tails. (2015) (43)
Understanding RNA Flexibility Using Explicit Solvent Simulations: The Ribosomal and Group I Intron Reverse Kink-Turn Motifs. (2011) (43)
Fluorographites (CF(x))n exhibit improved heterogeneous electron-transfer rates with increasing level of fluorination: towards the sensing of biomolecules. (2014) (43)
Interaction of Graphene and Arenes with Noble Metals (2012) (42)
How to understand quantum chemical computations on DNA and RNA systems? A practical guide for non-specialists. (2013) (42)
Lipid Enhanced Exfoliation for Production of Graphene Nanosheets (2013) (42)
Functionally relevant motions of haloalkane dehalogenases occur in the specificity‐modulating cap domains (2002) (41)
High‐Performance Supercapacitors Based on a Zwitterionic Network of Covalently Functionalized Graphene with Iron Tetraaminophthalocyanine (2018) (41)
Effect of guanine to inosine substitution on stability of canonical DNA and RNA duplexes: molecular dynamics thermodynamics integration study. (2013) (41)
Different Mechanisms of CDK5 and CDK2 Activation as Revealed by CDK5/p25 and CDK2/Cyclin A Dynamics* (2006) (41)
Immobilized Enzymes on Graphene as Nanobiocatalyst (2019) (40)
General base catalysis for cleavage by the active-site cytosine of the hepatitis delta virus ribozyme: QM/MM calculations establish chemical feasibility. (2008) (39)
2D Chemistry: Chemical Control of Graphene Derivatization (2018) (39)
Role of Enzyme Flexibility in Ligand Access and Egress to Active Site: Bias-Exchange Metadynamics Study of 1,3,7-Trimethyluric Acid in Cytochrome P450 3A4. (2016) (38)
The nature of high surface energy sites in graphene and graphite (2014) (38)
Adsorption of Organic Molecules to van der Waals Materials: Comparison of Fluorographene and Fluorographite with Graphene and Graphite (2017) (38)
Progress and challenges in understanding of photoluminescence properties of carbon dots based on theoretical computations (2021) (37)
The Role of Protein-Protein and Protein-Membrane Interactions on P450 Function (2016) (36)
The mechanism of inhibition of the cyclin‐dependent kinase‐2 as revealed by the molecular dynamics study on the complex CDK2 with the peptide substrate HHASPRK (2005) (36)
Random Phase Approximation in Surface Chemistry: Water Splitting on Iron. (2013) (36)
Reactivity of fluorographene is triggered by point defects: beyond the perfect 2D world (2018) (36)
Exact roles of individual chemical forms of nitrogen in the photoluminescent properties of nitrogen-doped carbon dots (2017) (36)
Antiallergic Effects of Pigments Isolated from Green Sea Urchin (Strongylocentrotus droebachiensis) Shells (2013) (35)
Benchmark quantum-chemical calculations on a complete set of rotameric families of the DNA sugar-phosphate backbone and their comparison with modern density functional theory. (2013) (34)
Exploring the Dynamics of Propeller Loops in Human Telomeric DNA Quadruplexes Using Atomistic Simulations (2017) (34)
Structure, dynamical stability, and electronic properties of phases in TaS 2 from a high-level quantum mechanical calculation (2015) (33)
Reactive conformation of the active site in the hairpin ribozyme achieved by molecular dynamics simulations with ε/ζ force field reparametrizations. (2015) (33)
Are Waters around RNA More than Just a Solvent? - An Insight from Molecular Dynamics Simulations. (2014) (32)
QM/MM studies of hairpin ribozyme self-cleavage suggest the feasibility of multiple competing reaction mechanisms. (2011) (32)
ATP and magnesium drive conformational changes of the Na+/K+-ATPase cytoplasmic headpiece. (2009) (30)
Metal-Organic Frameworks: Hydrophobic Metal-Organic Frameworks (Adv. Mater. 32/2019) (2019) (30)
Role of the Edge Properties in the Hydrogen Evolution Reaction on MoS2. (2017) (29)
Emerging MXene@Metal-Organic Framework Hybrids: Design Strategies toward Versatile Applications. (2021) (29)
Dissociation of Water at Iron Surfaces: Generalized Gradient Functional and Range-Separated Hybrid Functional Study (2012) (29)
Rationalization of reduced penetration of drugs through ceramide gel phase membrane. (2014) (29)
Optical properties of wine pigments: theoretical guidelines with new methodological perspectives (2015) (29)
Quantum Monte Carlo for noncovalent interactions: an efficient protocol attaining benchmark accuracy. (2014) (29)
Structural Dynamics of Carbon Dots in Water and N,N-Dimethylformamide Probed by All-Atom Molecular Dynamics Simulations (2018) (29)
Choosing a density functional for modeling adsorptive hydrogen storage: reference quantum mechanical calculations and a comparison of dispersion-corrected density functionals. (2015) (29)
Parallel G-triplexes and G-hairpins as potential transitory ensembles in the folding of parallel-stranded DNA G-Quadruplexes (2019) (29)
Dichlorocarbene-Functionalized Fluorographene: Synthesis and Reaction Mechanism. (2015) (28)
Metal Halide Perovskite@Metal-Organic Framework Hybrids: Synthesis, Design, Properties, and Applications. (2020) (28)
Noncanonical hydrogen bonding in nucleic acids. Benchmark evaluation of key base-phosphate interactions in folded RNA molecules using quantum-chemical calculations and molecular dynamics simulations. (2011) (28)
Functional flexibility of human cyclin‐dependent kinase‐2 and its evolutionary conservation (2007) (28)
ChannelsDB: database of biomacromolecular tunnels and pores (2017) (28)
Unique cellular network formation guided by heterostructures based on reduced graphene oxide - Ti3C2Tx MXene hydrogels. (2020) (28)
Dynamics and Binding Modes of Free cdk2 and its Two Complexes with Inhibitors Studied by Computer Simulations (2002) (27)
Coarse-grain simulations of skin ceramide NS with newly derived parameters clarify structure of melted phase. (2015) (27)
Positive and Negative Effects of Dopants toward Electrocatalytic Activity of MoS2 and WS2: Experiments and Theory. (2020) (27)
NZVI modified magnetic filter paper with high redox and catalytic activities for advanced water treatment technologies. (2014) (27)
Cyanographene and Graphene Acid: The Functional Group of Graphene Derivative Determines the Application in Electrochemical Sensing and Capacitors (2018) (26)
A Novel Approach for Deriving Force Field Torsion Angle Parameters Accounting for Conformation-Dependent Solvation Effects. (2012) (26)
Energies and 2'-Hydroxyl Group Orientations of RNA Backbone Conformations. Benchmark CCSD(T)/CBS Database, Electronic Analysis, and Assessment of DFT Methods and MD Simulations. (2014) (25)
Interplay between Ethanol Adsorption to High-Energy Sites and Clustering on Graphene and Graphite Alters the Measured Isosteric Adsorption Enthalpies (2015) (25)
Mechanism of enhanced conversion of 1,2,3-trichloropropane by mutant haloalkane dehalogenase revealed by molecular modeling (2006) (25)
Surface energy analysis (SEA) and rheology of powder milk dairy products. (2015) (24)
Surface heterogeneity: Information from inverse gas chromatography and application to model pharmaceutical substances (2016) (24)
Accurate surface energies from first principles (2015) (24)
Noncanonical α/γ Backbone Conformations in RNA and the Accuracy of Their Description by the AMBER Force Field. (2017) (24)
The Hallmarks of Copper Single Atom Catalysts in Direct Alcohol Fuel Cells and Electrochemical CO2 Fixation (2021) (23)
Second step of hydrolytic dehalogenation in haloalkane dehalogenase investigated by QM/MM methods (2008) (23)
Influence of BII Backbone Substates on DNA Twist: A Unified View and Comparison of Simulation and Experiment for All 136 Distinct Tetranucleotide Sequences (2017) (23)
Carbon Dots Detect Water-to-Ice Phase Transition and Act as Alcohol Sensors via Fluorescence Turn-Off/On Mechanism. (2021) (23)
Role of the puckered anisotropic surface in the surface and adsorption properties of black phosphorus (2018) (22)
Metal-organic framework/conductive polymer hybrid materials for supercapacitors (2022) (22)
Glycine-rich loop of mitochondrial processing peptidase alpha-subunit is responsible for substrate recognition by a mechanism analogous to mitochondrial receptor Tom20. (2010) (22)
The role of an active site Mg(2+) in HDV ribozyme self-cleavage: insights from QM/MM calculations. (2015) (22)
Covalently Interlinked Graphene Sheets with Sulfur‐Chains Enable Superior Lithium–Sulfur Battery Cathodes at Full‐Mass Level (2021) (22)
Ion Interactions across Graphene in Electrolyte Aqueous Solutions (2019) (22)
2,6,8,9-tetrasubstituted purines as new CDK1 inhibitors. (2003) (22)
Rational Design of Graphene Derivatives for Electrochemical Reduction of Nitrogen to Ammonia. (2021) (22)
Lipid bilayer membrane affinity rationalizes inhibition of lipid peroxidation by a natural lignan antioxidant. (2013) (22)
Intrinsic photoluminescence of amine-functionalized graphene derivatives for bioimaging applications (2019) (22)
Structural dynamics of propeller loop: towards folding of RNA G-quadruplex (2018) (22)
Interaction of single- and double-stranded DNA with multilayer MXene by fluorescence spectroscopy and molecular dynamics simulations† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c9sc03049b (2019) (22)
Effect of Cholesterol on the Structure of Membrane-Attached Cytochrome P450 3A4 (2015) (21)
Density-functional, density-functional tight-binding, and wave function calculations on biomolecular systems. (2007) (21)
Chemical Tuning of Specific Capacitance in Functionalized Fluorographene (2019) (21)
A cancer-derived mutation in the PSTAIRE helix of cyclin-dependent kinase 2 alters the stability of cyclin binding (2010) (21)
Noncovalent Integration of a Bioinspired Ni Catalyst to Graphene Acid for Reversible Electrocatalytic Hydrogen Oxidation (2020) (21)
UUCG RNA Tetraloop as a Formidable Force-Field Challenge for MD Simulations. (2020) (21)
Tunable Synthesis of Nitrogen Doped Graphene from Fluorographene under Mild Conditions (2020) (21)
Effect of Lipid Charge on Membrane Immersion of Cytochrome P450 3A4. (2016) (21)
First Step in the Reaction of Zerovalent Iron with Water. (2011) (20)
Molecular dynamic simulations of protein/RNA complexes: CRISPR/Csy4 endoribonuclease. (2015) (19)
Carboxylated Graphene for Radical-Assisted Ultra-Trace-Level Water Treatment and Noble Metal Recovery. (2021) (19)
Palladium nanoparticles supported on graphene acid: a stable and eco-friendly bifunctional C–C homo- and cross-coupling catalyst (2019) (19)
Conformational Energies of DNA Sugar-Phosphate Backbone: Reference QM Calculations and a Comparison with Density Functional Theory and Molecular Mechanics (2010) (19)
Tailoring π-conjugation and vibrational modes to steer on-surface synthesis of pentalene-bridged ladder polymers (2020) (19)
Microsecond-Scale MD Simulations of HIV-1 DIS Kissing-Loop Complexes Predict Bulged-In Conformation of the Bulged Bases and Reveal Interesting Differences between Available Variants of the AMBER RNA Force Fields. (2015) (18)
On the rapid in situ oxidation of two-dimensional V2CTz MXene in culture cell media and their cytotoxicity. (2021) (18)
Fine-tuning of the AMBER RNA Force Field with a New Term Adjusting Interactions of Terminal Nucleotides. (2020) (18)
Arene C H insertion catalyzed by ferrocene covalently heterogenized on graphene acid (2019) (17)
Spin-Crossing in an Organometallic Pt-Benzene Complex. (2013) (17)
Tailoring Electronic and Magnetic Properties of Graphene by Phosphorus Doping. (2020) (17)
Binding of quinidine radically increases the stability and decreases the flexibility of the cytochrome P450 2D6 active site. (2012) (17)
Single Co-Atoms as Electrocatalysts for Efficient Hydrazine Oxidation Reaction. (2021) (17)
A- to B-DNA Transition in AMBER Force Fields and Its Coupling to Sugar Pucker. (2018) (17)
Silver Covalently Bound to Cyanographene Overcomes Bacterial Resistance to Silver Nanoparticles and Antibiotics (2021) (17)
Conformational Behavior and Optical Properties of a Fluorophore Dimer as a Model of Luminescent Centers in Carbon Dots (2020) (17)
Analysis of CDK2 active‐site hydration: A method to design new inhibitors (2004) (17)
Surface properties of MoS2 probed by inverse gas chromatography and their impact on electrocatalytic properties (2017) (17)
Carbon Nanotube Based Metal-Organic Framework Hybrids From Fundamentals Toward Applications. (2021) (16)
Molecular Fluorophores Self-Organize into C-dot Seeds and Incorporate into C-dot Structures. (2020) (16)
Multidrug resistance-associated protein 4 (MRP4) controls ganciclovir intracellular accumulation and contributes to ganciclovir-induced neutropenia in renal transplant patients. (2016) (16)
Interaction energies for the purine inhibitor roscovitine with cyclin-dependent kinase 2: correlated ab initio quantum-chemical, DFT and empirical calculations. (2006) (16)
Molecular Mechanism of preQ 1 Riboswitch Action: A Molecular Dynamics Study (2012) (16)
Disparate HDV ribozyme crystal structures represent intermediates on a rugged free-energy landscape (2014) (15)
Structural patterns of the human ABCC4/MRP4 exporter in lipid bilayers rationalize clinically observed polymorphisms (2018) (15)
Label-free and reagentless electrochemical genosensor based on graphene acid for meat adulteration detection. (2021) (14)
Nitrogen doped graphene with diamond-like bonds achieves unprecedented energy density at high power in a symmetric sustainable supercapacitor (2022) (14)
Theoretical studies on the intermolecular interactions of potentially primordial base-pair analogues. (2010) (14)
Anchoring of single-platinum-adatoms on cyanographene: Experiment and theory (2020) (14)
Correlation of Dissociation Constants of 2- and 2,6-Substituted Anilines in Water by Methods Based on the Similarity Principle and Quantum-Chemistry Calculations (2003) (14)
Active Sites of Cytochromes P450: What are They Like? (2008) (13)
Contribution of the Molecular Fluorophore IPCA to Excitation-Independent Photoluminescence of Carbon Dots (2021) (13)
Challenges in the Theoretical Description of Nanoparticle Reactivity: Nano Zero-Valent Iron (2014) (13)
Nonenzymatic Oligomerization of 3′,5′‐Cyclic CMP Induced by Proton and UV Irradiation Hints at a Nonfastidious Origin of RNA (2017) (13)
A Computational Study of the Glycine-Rich Loop of Mitochondrial Processing Peptidase (2013) (13)
Regulatory phosphorylation of cyclin-dependent kinase 2: insights from molecular dynamics simulations (2008) (13)
Molecular insights into the role of a distal F240A mutation that alters CYP1A1 activity towards persistent organic pollutants. (2017) (13)
Variability of C–F Bonds Governs the Formation of Specific Structural Motifs in Fluorinated Graphenes (2019) (13)
One-step synthesis of Janus fluorographene derivatives. (2020) (13)
Graphene with Covalently Grafted Amino Acid as a Route Toward Eco‐Friendly and Sustainable Supercapacitors (2021) (12)
Hierarchical Porous Metal-Organic Framework Materials for Efficient Oil-Water Separation (2022) (12)
Correction to "Improving the Performance of the Amber RNA Force Field by Tuning the Hydrogen-Bonding Interactions". (2019) (12)
New Limits for Stability of Supercapacitor Electrode Material Based on Graphene Derivative (2020) (12)
Zigzag sp2 Carbon Chains Passing through an sp3 Framework: A Driving Force toward Room-Temperature Ferromagnetic Graphene. (2018) (12)
Transparent and Low-Loss Luminescent Solar Concentrators Based on Self-Trapped Exciton Emission in Lead-Free Double Perovskite Nanocrystals (2021) (12)
Microwave Energy Drives “On–Off–On” Spin‐Switch Behavior in Nitrogen‐Doped Graphene (2019) (12)
Bonding Motifs in Metal-Organic Compounds on Surfaces. (2018) (12)
Selective Functionalization Blended with Scaffold Conductivity in Graphene Acid Promotes H2O2 Electrochemical Sensing (2019) (12)
Thiophenol-Modified Fluorographene Derivatives for Nonlinear Optical Applications. (2019) (12)
Graphene Acid for Lithium‐Ion Batteries—Carboxylation Boosts Storage Capacity in Graphene (2021) (12)
Mechanistic insight into the limiting factors of graphene-based environmental sensors. (2019) (12)
Changes in electrostatic surface potential of Na+/K+-ATPase cytoplasmic headpiece induced by cytoplasmic ligand(s) binding. (2009) (11)
Role of Ionizable Lipids in SARS-CoV-2 Vaccines As Revealed by Molecular Dynamics Simulations: From Membrane Structure to Interaction with mRNA Fragments (2021) (11)
Interaction of the Helium, Hydrogen, Air, Argon, and Nitrogen Bubbles with Graphite Surface in Water. (2017) (11)
Alkynylation of graphene via the Sonogashira C–C cross-coupling reaction on fluorographene (2019) (11)
Formic acid, a ubiquitous but overlooked component of the early Earth atmosphere. (2020) (11)
Rhenium Doping of Layered Transition-Metal Diselenides Triggers Enhancement of Photoelectrochemical Activity. (2021) (11)
Thermally reduced fluorographenes as efficient electrode materials for supercapacitors. (2019) (10)
RNA nanopatterning on graphene (2018) (10)
Toward Convergence in Folding Simulations of RNA Tetraloops: Comparison of Enhanced Sampling Techniques and Effects of Force Field Modifications. (2022) (10)
Fine-tuning of the AMBER RNA Force Field with a New Term Adjusting Interactions of Terminal Nucleotides (2020) (10)
Dimerization of quercetin, Diels-Alder vs. radical-coupling approach: a joint thermodynamics, kinetics, and topological study (2016) (10)
Defect engineering over anisotropic brookite toward substrate-specific photo-oxidation of alcohols (2022) (10)
Large Enhancement of the Nonlinear Optical Response of Fluorographene by Chemical Functionalization: The Case of Diethyl-amino-fluorographene (2019) (10)
Flow induced HeLa cell detachment kinetics show that oxygen-containing functional groups in graphene oxide are potent cell adhesion enhancers. (2019) (9)
Stability of Two-quartet G-quadruplexes and Their Dimers in Atomistic Simulations. (2020) (9)
Lipocarbazole, an efficient lipid peroxidation inhibitor anchored in the membrane. (2015) (9)
The nature of bonding and electronic properties of graphene and benzene with iridium adatoms. (2014) (9)
Bimodal role of fluorine atoms in fluorographene chemistry opens a simple way toward double functionalization of graphene (2019) (9)
Asymmetric Supercapacitors: Covalent Graphene‐MOF Hybrids for High‐Performance Asymmetric Supercapacitors (Adv. Mater. 4/2021) (2021) (8)
Graphene-Based Metal–Organic Framework Hybrids for Applications in Catalysis, Environmental, and Energy Technologies (2022) (8)
Exponential repulsion improves structural predictability of molecular docking (2016) (8)
Surface energy analysis (SEA) study of hyaluronan powders (2013) (8)
Oxidation of metallic two-dimensional transition metal dichalcogenides: 1T-MoS2 and 1T-TaS2 (2020) (8)
2D graphene derivatives as heterogeneous catalysts to produce biofuels via esterification and trans-esterification reactions (2021) (8)
W-RESP: Well-Restrained Electrostatic Potential-Derived Charges. Revisiting the Charge Derivation Model. (2021) (8)
Wobble pairs of the HDV ribozyme play specific roles in stabilization of active site dynamics. (2015) (7)
Graphene Lattices with Embedded Transition-Metal Atoms and Tunable Magnetic Anisotropy Energy: Implications for Spintronic Devices (2022) (7)
beta-caryophyllene oxide and trans-nerolidol affect enzyme activity of CYP3A4 - in vitro and in silico studies. (2019) (7)
Chapter 6:Molecular Dynamics Simulations of RNA Molecules (2012) (7)
Flax-Derived Carbon: A Highly Durable Electrode Material for Electrochemical Double-Layer Supercapacitors (2021) (7)
Improving the Performance of the RNA Amber Force Field by Tuning the Hydrogen-Bonding Interactions (2018) (7)
Chemical feasibility of the general acid/base mechanism of glmS ribozyme self‐cleavage (2015) (7)
Porphyrinic Mof Derived Single-Atom Electrocatalyst Enables Methanol Oxidation (2022) (7)
Single‐Atom Catalysis: Mixed‐Valence Single‐Atom Catalyst Derived from Functionalized Graphene (Adv. Mater. 17/2019) (2019) (6)
Ferromagnetism: Sulfur Doping Induces Strong Ferromagnetic Ordering in Graphene: Effect of Concentration and Substitution Mechanism (Adv. Mater. 25/2016). (2016) (6)
Large magnetic anisotropy in an OsIr dimer anchored in defective graphene (2021) (6)
Multiresponsive 2D Ti3C2Tx MXene via Implanting Molecular Properties. (2021) (6)
Hierarchical Porous Graphene–Iron Carbide Hybrid Derived From Functionalized Graphene-Based Metal–Organic Gel as Efficient Electrochemical Dopamine Sensor (2020) (6)
Enhanced On‐Site Hydrogen Peroxide Electrosynthesis by a Selectively Carboxylated N‐Doped Graphene Catalyst (2021) (6)
Surface Energy of Black Phosphorus Alloys with Arsenic (2020) (6)
First-principles study of the mechanism of wettability transition of defective graphene (2017) (6)
Pinning ultrasmall greigite nanoparticles on graphene for effective transition-metal-sulfide supercapacitors in an ionic liquid electrolyte (2020) (5)
A multifunctional covalently linked graphene–MOF hybrid as an effective chemiresistive gas sensor (2021) (5)
Tunable one-step double functionalization of graphene based on fluorographene chemistry. (2020) (5)
Insights into G-Quadruplex-Hemin Dynamics Using Atomistic Simulations: Implications for Reactivity and Folding. (2021) (5)
W-RESP: Well-Restrained Electrostatic Potential Derived Charges. Revisiting the Charge Derivation Model (2020) (5)
Atomic-Scale Edge Morphology, Stability, and Oxidation of Single-Layer 2H-TaS2. (2020) (5)
Two C-terminal ankyrin repeats form the minimal stable unit of the ankyrin repeat protein p18INK4c (2008) (4)
Ligand effects on single-electron transfer of isolated iron atoms in the gaseous complexes [(OC)mFe(OH2)n]+ (m, n = 0–2, m + n = 1, 2) (2012) (4)
Physicochemical analysis of hyaluronic acid powder for cosmetic and pharmaceutical processing (2014) (4)
Graphene Field Effect Transistors: A Sensitive Platform for Detecting Sarin. (2021) (4)
Antitumour drugs targeting tau R3 VQIVYK and Cys322 prevent seeding of endogenous tau aggregates by exogenous seeds (2021) (4)
Graphene: Thiofluorographene–Hydrophilic Graphene Derivative with Semiconducting and Genosensing Properties (Adv. Mater. 14/2015) (2015) (4)
Octylamine‐Modified Fluorographenes as a Versatile Platform for the Efficient Engineering of the Nonlinear Optical Properties of Fluorinated Graphenes (2020) (4)
Ultrafine TiO 2 Nanoparticle Supported Nitrogen‐Rich Graphitic Porous Carbon as an Efficient Anode Material for Potassium‐Ion Batteries (2021) (4)
Graphene Nanobeacons with High-Affinity Pockets for Combined, Selective, and Effective Decontamination and Reagentless Detection of Heavy Metals. (2022) (4)
On-Surface Synthesis of One-Dimensional Coordination Polymers with Tailored Magnetic Anisotropy. (2021) (4)
Mapping the Chemical Space of the RNA Cleavage and Its Implications for Ribozyme Catalysis. (2017) (4)
Morphology‐Dependent Magnetism in Nanographene: Beyond Nanoribbons (2018) (4)
Different Mechanisms of CDK 5 and CDK 2 Activation as Revealed by CDK 5 / p 25 and CDK 2 / Cyclin A Dynamics (2006) (4)
Band-Edge Engineering at the Carbon Dot–TiO2 Interface by Substitutional Boron Doping (2019) (4)
Unveiling the true band gap of fluorographene and its origins by teaming theory and experiment (2022) (3)
Carbon-Based materials at nanoscale (2015) (3)
First-principles study of the mechanism of wettability transition of defective graphene. (2016) (3)
Anchoring of Transition Metals to Graphene Derivatives as an Efficient Approach for Designing Single‐Atom Catalysts (2020) (3)
Tuning the UV spectrum of PAHs by means of different N-doping types taking pyrene as paradigmatic example: categorization via valence bond theory and high-level computational approaches. (2020) (3)
How the stabilization of INK4 tumor suppressor 3D structure evaluated by quantum chemical and molecular mechanics calculations corresponds well with experimental results: interplay of association enthalpy, entropy, and solvation effects. (2006) (3)
Thermally induced intra-molecular transformation and metalation of free-base porphyrin on Au(111) surface steered by surface confinement and ad-atoms (2020) (3)
Two-dimensional MOF-based Liquid Marbles: Surface Energy Calculations and Efficient Oil-Water Separation Using a ZIF-9-III@PVDF Membrane (2021) (3)
Molecular Dynamics Simulations of RNA Molecules (2012) (2)
in vitro and in silicostudies of interaction of synthetic2,6,9-trisubstituted purine kinase inhibitors BPA-302, BP-21and BP-117 with liver drug-metabolizing cytochromes P450. (2020) (2)
Stability of Two-quartet G-quadruplexes and Their Dimers in Atomistic Simulations (2019) (2)
Surface termination of MgB2 unveiled by a combination of adsorption experiments and theoretical calculations. (2019) (2)
Shear delamination of multilayer MXenes (2022) (2)
Editorial [Hot Topic: Cytochromes P450: Flexibility and Plasticity - Properties Determining Substrate Preferences (Guest Editors: Michal Otyepka and Pavel Anzenbacher)] (2012) (2)
Title: Non-Enzymatic Oligomerization of 3',5' Cyclic CMP Induced by Proton- and UV-Irradiation Hints at a Non-Fastidious Origin of RNA (2017) (2)
Towards Convergence in Folding Simulations of RNA Tetraloops: Comparison of Enhanced Sampling Techniques and Effects of Force Field Corrections (2021) (2)
Olomoucine II, New Effective CDK Inhibitor with Strong Cytotoxic Properties (2001) (2)
Controlled nucleation of crystallization process as an efficient tool to tune the properties of corticosteroid API (2022) (2)
Metabolic interactions of benzodiazepines with oxycodone ex vivo and toxicity depending on usage patterns in an animal model (2021) (2)
Structural Bioinformatics Tools for Drug Design (2016) (2)
Mole 2.5 - Tool for Detection and Analysis of Macromolecular Pores and Channels (2017) (2)
Fluorographene: Dichlorocarbene‐Functionalized Fluorographene: Synthesis and Reaction Mechanism (Small 31/2015) (2015) (2)
UNCG RNA tetraloop as a formidable force-field challenge for MD simulations (2020) (2)
Tuning the magnetic properties of graphene derivatives by functional group selection. (2019) (2)
Biomimetic Materials: Stretch‐Healable Molecular Nanofibers (Adv. Theory Simul. 10/2020) (2020) (1)
Insenstivity to close contacts and inability to predict protein foldability. (2011) (1)
Accessibility of Grafted Functional Groups Limits Reactivity of Covalent Graphene Derivatives (2022) (1)
Insights into G-Quadruplex–Hemin Dynamics Using Atomistic Simulations: Implications for Reactivity and Folding (2020) (1)
MOLE 2.0: Improved Approach for Analysis of Biomacromolecular Channels and Pores (2013) (1)
Emerging graphene derivatives as active 2D coordination platforms for single-atom catalysts (2022) (1)
Channelsdb and Moleonline - Database and Tool for Analysis of Biomacromolecular Tunnels and Pores (2018) (1)
Click and Detect: Versatile Ampicillin Aptasensor Enabled by Click Chemistry on a Graphene-Alkyne Derivative. (2023) (1)
Computer Aided Development of Nucleic Acid Applications in Nanotechnologies. (2022) (1)
Correction to "Effect of Monovalent Ion Parameters on Molecular Dynamics Simulations of G-Quadruplexes". (2018) (1)
The synthesis of some polycyclic N-H acids with quinoxaline and [1,2,4]triazines (2003) (1)
MHP@MOF Hybrids: Metal Halide Perovskite@Metal‐Organic Framework Hybrids: Synthesis, Design, Properties, and Applications (Small 47/2020) (2020) (1)
110 Refinement of force field torsion parameters for nucleic acids based on inclusion of conformation-dependent solvation effects (2013) (1)
Detection of Channels (2016) (1)
Stretch‐Healable Molecular Nanofibers (2020) (1)
Communication of molecular fluorophores with other photoluminescence centres in carbon dots. (2023) (1)
Electrocatalytic activity for proton reduction by a covalent non-metal graphene–fullerene hybrid (2022) (1)
Metal-free cysteamine-functionalized graphene alleviates mutual interferences in heavy metal electrochemical detection (2023) (1)
Sensitivity of the RNA Structure to Ion Conditions as Probed by Molecular Dynamics Simulations of Common Canonical RNA Duplexes (2023) (1)
Structural Bioinformatics Databases of General Use (2016) (1)
42 Computer folding of RNA tetraloops? Are we there yet? (2013) (1)
Molecular Insights from Theoretical Calculations Explain the Differences in Affinity and Diffusion of Airborne Contaminants on Surfaces of hBN and Graphene (2021) (1)
Recent advancements in metal–organic frameworks integrating quantum dots (QDs@MOF) and their potential applications (2022) (1)
Microbial Resistance: Silver Covalently Bound to Cyanographene Overcomes Bacterial Resistance to Silver Nanoparticles and Antibiotics (Adv. Sci. 12/2021) (2021) (1)
Insenstivity to Close Contacts and Inability to Predict Protein Foldability (2011) (0)
A MOLECULAR DYNAMICS STUDY OF THE CYCLIN-DEPENDENT KINASE-2 (CDK2) WITH SUBSTRATE PEPTIDE (HHASPRK) INHIBITION BY PHOSPHORYLATION (2004) (0)
Anatomy of enzymatic channels and algorithm for its detection (2014) (0)
Proteins and Their Interactions With Small Molecules Studied byComputer Simulations. (2002) (0)
Molecular dynamics study on tree cdk2 and its complexes with purine-like inhibitors (2001) (0)
Cyclin-Dependent Protein Kinase-2 Regulation byPhosphorylation, A Molecular Dynamics Study (2003) (0)
Computer-assisted Directed Evolution of Haloalkane DehalogenaseDhaA Towards Degradation of 1,2,3-Trichloropropane (2006) (0)
Single Atom Catalysts: Anchoring of Transition Metals to Graphene Derivatives as an Efficient Approach for Designing Single‐Atom Catalysts (Adv. Mater. Interfaces 8/2021) (2021) (0)
Conference of Post‐up Conference of Post‐up Assessment of Vocal Fold Vibration with Videokymography and Related Techniques Evaluation of Enzyme Specificity by Mass Spectrometry Hormone Signalling in Plant Response Understanding Molecular Relationships of Beetles Construction of Human Luciferase Gene (0)
Structural Landmarks of the Hepatitis Delta Virus (HDV) Ribozyme (2011) (0)
Solvent behavior in the molecular dynamics simulations of free Cdk2 and its complexes with inhibitors (2001) (0)
Carbon Nanohybrids: Hydrophilic Nanotube Supported Graphene–Water Dispersible Carbon Superstructure with Excellent Conductivity (Adv. Funct. Mater. 10/2015) (2015) (0)
Fluorographene – The Youngest Member of Graphene Family (2016) (0)
Molecular Modeling of Peptides and Proteins at National Centrefor Biomolecular Research (NCBR) (2002) (0)
Structural properties of CYP2D6: requirements for substrates and inhibitors (2014) (0)
Hydration of the CDK2 active site. Molecular dynamics study. (2002) (0)
Structure-Function Relationships Within the Hepatitis Delta Virus Ribozyme (2012) (0)
Anatomy of enzyme channels (2014) (0)
Magnetic Polaron States in Photoluminescent Carbon Dots Enable Hydrogen Peroxide Photoproduction. (2023) (0)
Graphene derivatives as a versatile platform for catalytic applications (2021) (0)
Graphene derivatives for energy storage (2021) (0)
Supplementary Information : The nature of bonding and electronic properties of graphene with iridium adatoms (2014) (0)
Molecular Dynamics Study of Protein-Ligand Interactions (2005) (0)
Recent Progress in Emerging Two-Dimensional Transition Metal Carbides (2021) (0)
Carbon Nanotube Based Metal–Organic Framework Hybrids From Fundamentals Toward Applications (Small 4/2022) (2022) (0)
Structural Bioinformatics Tools for Drug Design: Extraction ofBiologically Relevant Information from Structural Databases (2016) (0)
OsPd bimetallic dimer pushes the limit of magnetic anisotropy in atom-sized magnets for data storage. (2022) (0)
Membrane-bound human cytochrome P450 family: commonalities and differences (2014) (0)
Thermally reduced fl uorographenes as e ffi cient electrode materials for supercapacitors † (2019) (0)
Design and Evolution of Haloalkane Dehalogenase with Enhanced Conversion of 1,2,3-Trichloropropane by Modification of Access Tunnels (2009) (0)
COMPUTER SIMULATIONS OF CYCLIN-DEPENDENT KINASE-2 NOTES ABOUTINHIBITION (2003) (0)
Molecular Dynamics Simulations on Cyclin Dependent Kinases 2and 5. Contribution to Designing New Inhibitors andUnderstanding Mechanism of Activation/Inhibition (2007) (0)
Biodegradation of 1,2,3-Trichloropropane (2011) (0)
Graphene: High-Performance Supercapacitors Based on a Zwitterionic Network of Covalently Functionalized Graphene with Iron Tetraaminophthalocyanine (Adv. Funct. Mater. 29/2018) (2018) (0)
MOLE 2.5: Improved Tool for Analysis of Ligand-Accessible Channels (2015) (0)
Cover Feature: One‐Step Synthesis of Janus Fluorographene Derivatives (Chem. Eur. J. 29/2020) (2020) (0)
Lithium–Sulfur Batteries: Covalently Interlinked Graphene Sheets with Sulfur‐Chains Enable Superior Lithium–Sulfur Battery Cathodes at Full‐Mass Level (Adv. Funct. Mater. 30/2021) (2021) (0)
Biomacromolecular Fragments and Patterns (2016) (0)
Tetrasubstituted purines as inhibitors of CDK1 (2003) (0)
The crystal structure of the complex of the haloalkane dehalogenase LinB with the product of dehalogenation reaction 1,2-dichloropropane. (2006) (0)
Complete Process of Data Extraction and Analysis (2016) (0)
Ultra ﬁ ne TiO 2 Nanoparticle Supported Nitrogen-Rich Graphitic Porous Carbon as an Ef ﬁ cient Anode Material for Potassium-Ion Batteries (2021) (0)
On the Electronic and Optical Properties of Fluorographene, Chlorographene, and Graphane (2014) (0)
OsPd bimetallic dimer pushes the limit of magnetic anisotropy in atom-sized magnets for data storage (2022) (0)
Coordination effects on the binding of late 3d single metal species to cyanographene (2022) (0)
Editorial: cytochromes P450: flexibility and plasticity - properties determining substrate preferences. (2012) (0)
Dynamics of human CDK2 and CDK5 studied by computer simulations (2005) (0)
CDK2 activation and inhibition by phosphorylation, a moleculardynamics study (2002) (0)
Atomistic Insights into Organization of RNA-Loaded Lipid Nanoparticles. (2023) (0)
Anatomy of protein channels (2015) (0)
Acidic graphene organocatalyst for the superior transformation of wastes into high-added-value chemicals (2023) (0)
Molecular Dynamics Simulations of CDK2/ATP Complex (2002) (0)
Lipid bilayer position and orientation of novel carprofens, modulators of γ-secretase in Alzheimer's disease. (2018) (0)
MD Simulations of HIV‐1 DIS Kissing-Loop Complexes Predict Bulged-In Conformation of the Bulged Bases (2017) (0)
Regulatory Phosphorylations of Cyclin-Dependent Kinase 2: AnInsight from the Molecular Dynamics Simulations (2008) (0)
106 Deriving force field dihedral angle parameters that account for conformation-dependent solvation effects (2013) (0)
Intermetallic Copper-Based Electride Catalyst with High Activity for C-H Oxidation and Cycloaddition of CO2 into Epoxides. (2022) (0)
Graphene: Morphology‐Dependent Magnetism in Nanographene: Beyond Nanoribbons (Adv. Funct. Mater. 22/2018) (2018) (0)
6nd European Symposium on Computing π-Conjugated Compounds (2015) (0)
Detection and Extraction of Fragments (2016) (0)
Pillaring Graphene and Graphene Oxide (2014) (0)
Non-covalent control of spin-state in metal-organic complex by positioning on N-doped graphene (2018) (0)
MOLE – remastering of tool for detection and analysis of functional "void spaces" within biomacromolecules (2016) (0)
Drug Metab Dispos-2016-Scott-dmd.115.068569[1] (2016) (0)
Upcycling natural Limestone waste for thermochemical energy storage by utilising tailored CaZrO3 nanoadditives (2023) (0)
Editorial for the Special Issue on “Graphene-Related Materials: Synthesis and Applications” (2022) (0)
Characterization via Charges (2016) (0)

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What Schools Are Affiliated With Michal Otyepka?

Michal Otyepka is affiliated with the following schools:

Palacký University Olomouc
Charles University
VSB – Technical University of Ostrava
University of Pardubice
Masaryk University