Mihaly Mezei
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Computer Science Mathematics
Mihaly Mezei's Degrees
- Masters Mathematics University of Vienna
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(Suggest an Edit or Addition)Mihaly Mezei'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
- Molecular docking: a powerful approach for structure-based drug discovery. (2011) (1637)
- Free Energy Simulations a (1986) (288)
- Adaptive umbrella sampling: Self-consistent determination of the non-Boltzmann bias (1987) (218)
- A cavity-biased (T, V, μ) Monte Carlo method for the computer simulation of fluids (1980) (189)
- Monte Carlo studies of the structure of dilute aqueous sclutions of Li+, Na+, K+, F−, and Cl− (1981) (181)
- Theoretical studies of hydrogen bonding in liquid water and dilute aqueous solutions (1981) (168)
- Monte Carlo determination of the free energy and internal energy of hydration for the Ala dipeptide at 25.degree.C (1985) (145)
- Polyproline II helix is the preferred conformation for unfolded polyalanine in water (2004) (136)
- Grand-canonical ensemble Monte Carlo study of dense liquid Lennard-Jones, soft spheres and water (1987) (122)
- Chameleon sequences in the PDB. (1998) (102)
- The finite difference thermodynamic integration, tested on calculating the hydration free energy difference between acetone and dimethylamine in water (1987) (95)
- Effect of Cholesterol on the Properties of Phospholipid Membranes. 2. Free Energy Profile of Small Molecules (2003) (88)
- Calculation of the Free Energy Profile of H2O, O2, CO, CO2, NO, and CHCl3 in a Lipid Bilayer with a Cavity Insertion Variant of the Widom Method (2000) (87)
- Simulaid: A simulation facilitator and analysis program (2010) (86)
- Ab initio calculation of the free energy of liquid water (1978) (85)
- Studies on free energy calculations. I. Thermodynamic integration using a polynomial path (1993) (82)
- A new method for mapping macromolecular topography. (2003) (81)
- Unfolded state of polyalanine is a segmented polyproline II helix (2004) (79)
- Morphology of Voids in Molecular Systems. A Voronoi−Delaunay Analysis of a Simulated DMPC Membrane (2004) (77)
- A molecular dynamics investigation of lipid bilayer perturbation by PIP2. (2010) (75)
- A novel method reveals that solvent water favors polyproline II over β‐strand conformation in peptides and unfolded proteins: conditional hydrophobic accessible surface area (CHASA) (2005) (73)
- Convergence characteristics of Monte Carlo–Metropolis computer simulations on liquid water (1979) (73)
- Severe anemia in the Nan mutant mouse caused by sequence-selective disruption of erythroid Krüppel-like factor (2010) (72)
- Effect of Cholesterol on the Properties of Phospholipid Membranes. 1. Structural Features (2003) (61)
- The ABCs of molecular dynamics simulations on B-DNA, circa 2012 (2012) (60)
- Characterization of the Binding Site of Aspartame in the Human Sweet Taste Receptor. (2015) (55)
- Polynomial path for the calculation of liquid state free energies from computer simulations tested on liquid water (1992) (54)
- Simulated Annealing of Chemical Potential: A General Procedure for Locating Bound Waters. Application to the Study of the Differential Hydration Propensities of the Major and Minor Grooves of DNA (1996) (54)
- Monte Carlo computer simulation study of the hydrophobic effect. Potential of mean force for [(CH4)2]aq at 25 and 50 °C (1982) (52)
- Monte Carlo Computer Simulation of the Aqueous Hydration of the Glycine Zwitterion at 25°C (1984) (52)
- Aqueous hydration of benzene (1984) (51)
- The Potentials of Mean Force of Sodium Chloride and Sodium Dimethylphosphate in Water : An Application of Adaptive Umbrella Sampling (1995) (50)
- Structure-Guided Discovery of Selective Antagonists for the Chromodomain of Polycomb Repressive Protein CBX7. (2016) (50)
- Interfacial water as a "hydration fingerprint" in the noncognate complex of BamHI. (2005) (49)
- Orientational Order of the Water Molecules Across a Fully Hydrated DMPC Bilayer: A Monte Carlo Simulation Study (2001) (47)
- Selective Inhibition of SIN3 Corepressor with Avermectins as a Novel Therapeutic Strategy in Triple-Negative Breast Cancer (2015) (47)
- Optimal position of solute for simulations (1997) (46)
- Structural chemistry of biomolecular hydration via computer simulation: the proximity criterion. (1986) (45)
- Lucanthone and Its Derivative Hycanthone Inhibit Apurinic Endonuclease-1 (APE1) by Direct Protein Binding (2011) (44)
- Monte Carlo Computer Simulation Studies of the Equilibrium Properties and Structure of Liquid Water (1983) (43)
- Theoretical Calculation of the Liquid—Vapor Coexistence Curve of Water, Chloroform and Methanol with the Cavity-Biased Monte Carlo Method in the Gibbs Ensemble (1992) (42)
- Excess free energy of different water models computed by Monte Carlo methods (1982) (41)
- Grand Canonical Monte Carlo Simulation of Water Positions in Crystal Hydrates (1994) (41)
- Convergence acceleration in Monte Carlo computer simulation on water and aqueous solutions (1983) (41)
- Free-Energy Profile of Small Solute Molecules at the Free Surfaces of Water and Ice, as Determined by Cavity Insertion Widom Calculations (2007) (39)
- Grand canonical ensemble Monte Carlo simulation of the dCpG/proflavine crystal hydrate. (1996) (37)
- Effect of Cholesterol on the Properties of Phospholipid Membranes. 3. Local Lateral Structure (2004) (37)
- Structure-guided optimization of small molecules inhibiting human immunodeficiency virus 1 Tat association with the human coactivator p300/CREB binding protein-associated factor. (2007) (36)
- Effect of cholesterol on the properties of phospholipid membranes. 4. Interatomic voids. (2005) (35)
- Grand canonical ensemble Monte Carlo simulation of a lipid bilayer using extension biased rotations (1999) (34)
- Studies on free energy calculations. II. A theoretical approach to molecular solvation (1994) (33)
- Efficient multipole expansion: Choice of order and density partitioning techniques (1977) (31)
- TRAJELIX: A Computational Tool for the Geometric Characterization of Protein Helices During Molecular Dynamics Simulations (2006) (31)
- Calculation of the solvent contribution to the potential of mean force between water molecules in fixed relative orientation in liquid water (1990) (31)
- Direct Calculation of the Excess Free Energy of the Dense Lennard-Jones Fluid (1989) (30)
- Use of a non‐pair‐additive intermolecular potential function to fit quantum‐mechanical data on water molecule interactions (1977) (29)
- A molecular level explanation of the density maximum of liquid water from computer simulations with a polarizable potential model (2000) (29)
- A comprehensive liquid simulation study of neat formic acid (2000) (28)
- Conformational stability of dimethyl phosphate anion in water: liquid-state free energy simulations (1988) (28)
- TSH Receptor Signaling Abrogation by a Novel Small Molecule (2016) (28)
- Aqueous hydration of nucleic acid constituents: Monte Carlo computer simulation studies. (1984) (28)
- Monte Carlo study of the aqueous hydration of dimethylphosphate conformations (1987) (28)
- Prediction of protein loop structures using a local move Monte Carlo approach and a grid-based force field. (2008) (27)
- Monte Carlo studies on water in the dCpG/proflavin crystal hydrate. (1983) (27)
- Pentagon-pentagon correlations in water (1985) (26)
- Identification of a small-molecule ligand that activates the neuropeptide receptor GPR171 and increases food intake (2016) (25)
- Determination of molecular properties by the method of moments. I (1969) (25)
- A molecular dynamics simulation of a water droplet by the implicit-Euler/Langevin scheme (1991) (24)
- LIQUID STATE COMPUTER SIMULATIONS OF BIOMOLECULAR SOLVATION PROBLEMS * (1981) (24)
- Efficient Monte Carlo sampling for long molecular chains using local moves, tested on a solvated lipid bilayer (2003) (24)
- Use of the Grand Canonical Ensemble in Potential of Mean Force Calculations (1996) (24)
- Computer simulation study of liquid CH2F2 with a new effective pair potential model (1999) (24)
- Calculation of the Free Energy and Cooperativity of Protein Folding (2007) (23)
- Conformational stability and flexibility of the ala dipeptide in free space and water: Monte Carlo computer simulation studies (1986) (23)
- Further quasicomponent distribution function analysis of liquid water. Temperature dependence of the results (1982) (23)
- EVALUATION OF THE ADAPTIVE UMBRELLA SAMPLING METHOD (1989) (23)
- Human uroporphyrinogen III synthase: NMR‐based mapping of the active site (2008) (22)
- Computer Aided Identification of Small Molecules Disrupting uPAR/α5β1- Integrin Interaction: A New Paradigm for Metastasis Prevention (2009) (22)
- Studies of base pair sequence effects on DNA solvation based on all-atom molecular dynamics simulations (2012) (22)
- Calculation of solvation free-energy differences for large solute change from computer simulations with quadrature-based nearly linear thermodynamic integration (1993) (21)
- Modified Proximity Criteria for the Analysis of the Solvation of a Polyfunctional Solute (1988) (21)
- An NR2F1-specific agonist suppresses metastasis by inducing cancer cell dormancy (2021) (20)
- Virial-bias Monte Carlo methods Efficient sampling in the (T, P,N) ensemble (1983) (20)
- The BigLEN-GPR171 Peptide Receptor System Within the Basolateral Amygdala Regulates Anxiety-Like Behavior and Contextual Fear Conditioning (2017) (19)
- Calculation of the free energy of solvation of the Li+ and Na+ ions in water and chloroform (1996) (19)
- A cooperative calculation and analysis of electric fields, induced dipole vectors and lattice energies for rotationally ordered ices IX, II and disordered Ih (1980) (18)
- MC-PHS: a Monte Carlo implementation of the primary hydration shell for protein folding and design. (2003) (18)
- Association free energy of dipalmitoylphosphatidylserines in a mixed dipalmitoylphosphatidylcholine membrane. (2007) (18)
- Identifying a Small Molecule Blocking Antigen Presentation in Autoimmune Thyroiditis* (2015) (18)
- Computational approaches for modeling GPCR dimerization. (2014) (18)
- Dockres: a computer program that analyzes the output of virtual screening of small molecules (2010) (18)
- Homology modeling and site-directed mutagenesis to identify selective inhibitors of endothelin-converting enzyme-2. (2008) (18)
- On the Selection of the Particle to Be Perturbed in the Monte Carlo Method (1981) (17)
- Assessing the binding of cholinesterase inhibitors by docking and molecular dynamics studies. (2017) (16)
- New small molecule agonists to the thyrotropin receptor. (2015) (16)
- [Ala12]MCD peptide: a lead peptide to inhibitors of immunoglobulin E binding to mast cell receptors. (2005) (16)
- Monte Carlo loop refinement and virtual screening of the thyroid-stimulating hormone receptor transmembrane domain (2015) (15)
- The energetics of the acetylation switch in p53‐mediated transcriptional activation (2010) (14)
- ON THE BASIS SET SUPERPOSITION ERROR IN THE EVALUATION OF WATER DIMER INTERACTIONS. AUTHOR'S REPLIES (1991) (14)
- Conformational Space Comparison of GnRH and lGnRH-III using Molecular Dynamics, Cluster Analysis and Monte Carlo Thermodynamic Integration (2001) (14)
- Distance-scaled Force Biased Monte Carlo Simulation for Solutions containing a Strongly Interacting Solute (1991) (14)
- Effective Mast Cell Degranulating Peptide Inhibitors of the IgE/FcɛRI Receptor Interaction (2008) (14)
- Origin of the sequence‐dependent polyproline II structure in unfolded peptides (2005) (14)
- MONTE CARLO DETERMINATION OF THE FREE ENERGY AND INTERNAL ENERGY OF HYDRATION FOR THE ALA DIPEPTIDE AT 25°C (1985) (13)
- Generic solvent sites in a crystal (1984) (13)
- Automatic Control of Solvent Density in Grand Canonical Ensemble Monte Carlo Simulations. (2006) (13)
- Monte Carlo analysis of conformational transitions in superhelical DNA (1995) (13)
- Transmembrane domains of attraction on the TSH receptor. (2015) (13)
- Statistical Properties of Protein-Protein Interfaces (2015) (12)
- Identification of a novel binding site between HIV type 1 Nef C-terminal flexible loop and AP2 required for Nef-mediated CD4 downregulation. (2013) (12)
- Computer simulation studies of the fully solvated wild-type and mutated GnRH in extended and beta-turn conformations. (1998) (12)
- A computational procedure for obtaining the poles of a spherical harmonic of order N; Application to the multipole expansion of electrostatic interaction (1976) (11)
- Efficient construction of directional derivatives of a function of a vector magnitude and maxwell's invariant multipole form (1976) (10)
- Inhibitor of CBP Histone Acetyltransferase Downregulates p53 Activation and Facilitates Methylation at Lysine 27 on Histone H3 (2018) (10)
- Test of the overlap ratio method on the calculation of the aqueous hydration free energy difference between acetone and dimethylamine (1988) (10)
- A Modifying Autoantigen in Graves’ Disease (2019) (10)
- Reply to the comment on the application of basis set superposition error to ab initio calculation of water dimer (1991) (9)
- The Detailed Balance Energy-scaled Displacement Monte Carlo Algorithm (1987) (9)
- Comparison of polarizable and nonpolarizable models of hydrogen fluoride in liquid and supercritical states: A Monte Carlo simulation study (2001) (9)
- Discriminatory Power of Stoichiometry-Driven Protein Folding? (2011) (8)
- Free-energy simulation studies on the hydration of tetramethylurea and tetramethylthiourea (1995) (8)
- Selective Inhibition of SIN 3 Corepressor with Avermectins as a Novel Therapeutic Strategy in Triple-Negative Breast Cancer (2015) (8)
- A NEAR-NEIGHBOUR ALGORITHM FOR METROPOLIS MONTE CARLO SIMULATIONS. (1988) (8)
- Prediction of protein loop structures using a local move Monte Carlo approach and a grid-based force field (2009) (8)
- Comparison of a quantum random number generator with pseudorandom number generators for their use in molecular Monte Carlo simulations (2017) (8)
- An Evaluation of Water-Water Analytical Potentials in the Region of Low-Energy Trifurcated Structures (1988) (8)
- Predicting Protein Interactions by Brownian Dynamics Simulations (2012) (8)
- Retro-inverso D-peptides as a novel targeted immunotherapy for Type 1 diabetes. (2020) (7)
- On predicting foldability of a protein from its sequence (2020) (7)
- A novel fingerprint for the characterization of protein folds. (2003) (7)
- The PT1-Ca2+ Gla domain binds to a membrane through two dipalmitoylphosphatidylserines. A computational study. (2008) (7)
- A Gq Biased Small Molecule Active at the TSH Receptor (2020) (7)
- Modeling dimerizations of transmembrane proteins using Brownian dynamics simulations (2008) (7)
- Simulation studies of the dihedral angle in water (1984) (6)
- Monte Carlo Studies of the Structure of Liquid Water and Dilute Aqueous Solutions (1978) (6)
- Comparison of the percolation model with computer simulation results on different water models (1984) (6)
- The sensitivity of conformational free energies of the alanine dipeptide to atomic site charges. (1997) (6)
- Monte Carlo Studies of the Aqueous Hydration of cis- and trans- N- Methyl-Acetamide: Sensitivity of Results to Convergence and to Choice of Intermolecular Potential Functions (1986) (6)
- Protein Binding Pocket Optimization for Virtual High-Throughput Screening (vHTS) Drug Discovery (2020) (6)
- Comment on “Molecular dynamics simulations in the grand canonical ensemble: Formulation of a bias potential for umbrella sampling” [J. Chem. Phys. 110, 8295 (1999)] (2000) (5)
- On the Potential of Monte Carlo Methods for Simulating Macromolecular Assemblies (2002) (5)
- Computer algorithms and programs for permanent multipole and induced dipole interaction energies and dipole vectors in crystals (1978) (5)
- The structure of the zwitterionic headgroups in a DMPC bilayer as seen from Monte Carlo simulation: Comparisons with ionic solutions (2007) (5)
- The possibility of obtaining an effective pairwise additive intermolecular potential via an ab initio route by fitting to a cooperative model of condensed-phase configurations (1991) (5)
- Ab initio study of aspartic and glutamic acid: Supplementary evidence for structural requirements at position 9 for glucagon activity (1994) (4)
- A specific agonist of the orphan nuclear receptor NR2F1 suppresses metastasis through the induction of cancer cell dormancy (2021) (4)
- Revisiting Chameleon Sequences in the Protein Data Bank (2018) (4)
- Rescore protein–protein docked ensembles with an interface contact statistics (2017) (4)
- Computational analysis of the effects of site‐specific phosphate alkylation in the DNA oligomer {d‐[GGAATTCC]}2 (1990) (4)
- Monte Carlo determination of the internal energies of hydration for the Ala dipeptide in the C7, C5, αR, and PII conformations (1984) (4)
- Automatic Determination of Stepsize Parameters in Monte Carlo Simulation Tested on a Bromodomain-Binding Octapeptide (2009) (4)
- Iso-Energy Cutoff for the Calculation of Interionic Potential of Mean Force in Water (1994) (3)
- The Effect of the Combined Volume on the Efficiency of Gibbs Ensemble Simulations (1993) (3)
- Implications of an improved model of the TSH receptor transmembrane domain (TSHR-TMD -TRIO). (2021) (3)
- Molecular Dynamics and Docking Studies on Acetylcholinesterase (AChE) Inhibitors (2018) (3)
- Results from an Early Polarization Model Based on Maxwell's Invariant Multipole Form. (2007) (3)
- Torque algorithms: The permanent multipole and induced dipole vector contributions in a set of charge distributions (1982) (3)
- The Biological Significance of Targeting Acetylation-Mediated Gene Regulation for Designing New Mechanistic Tools and Potential Therapeutics (2021) (3)
- Solvent effect on the conformation of the Hoechst 33258 agent (1997) (3)
- Estimation of the difference between molecular dynamics and monte carlo averages due to the truncation of the potential (1980) (3)
- A heuristic procedure for the detection of locally similar substructures of two equivalent structures. (1994) (2)
- Virtual screening of a natural compound library at orthosteric and allosteric binding sites of the neurotensin receptor (2019) (2)
- Foldability and chameleon propensity of fold‐switching protein sequences (2020) (2)
- Brief Report - Monoclonal Antibodies Illustrate the Difficulties in Measuring Blocking TSH Receptor Antibodies (2022) (2)
- Free Energy Simulations Over Creation/Annihilation Paths for a Flexible Solute (2002) (2)
- The role of protein “Stability patches” in molecular recognition: A case study of the human growth hormone‐receptor complex (2016) (2)
- Structure-guided discovery of selective antagonist for the chromodomain of polycomb repressive protein CBX7 (2016) (2)
- Statistical thermodynamics through computer simulation to characterize phospholipid interactions in membranes. (2007) (2)
- The anisotropic virial-biased sampling for Monte Carlo simulations in the isothermal—isobaric ensemble (1999) (2)
- Observation of quantum signature in rivastigmine chemical bond break-up and quantum energetics, spectral studies of anti-Alzheimer inhibitors (2019) (2)
- The Human TSHβ Subunit Proteins and their Binding Sites on the TSH Receptor Using Molecular Dynamics Simulation. (2020) (1)
- The Error of a Function Approximation Based on Random Selected Points (1973) (1)
- Free-Energy Computer Simulations for the Study of Proton Transfer in Solutions (1992) (1)
- Monte Carlo computer simulation of the aqueous hydration of the glycine zwitterion at 25 degree C. (1984) (1)
- MMC: A Monte Carlo and Analysis Program (2011) (1)
- Calculating the local solvent chemical potential in crystal hydrates. (2000) (1)
- A novel approach to the calculation of the free energy due to molecular flexibility (2000) (1)
- In Silico Modeling of Novel Drug Ligands for Treatment of Concussion Associated Tauopathy (2016) (1)
- Use of circular variance to quantify the deviation of a macromolecule from the spherical shape (2015) (1)
- Use of the Codon Table to Quantify the Evolutionary Role of Random Mutations (2021) (1)
- Modeling TSH Receptor Dimerization at the Transmembrane Domain. (2022) (1)
- New approximate solution of the spin-free Schrödinger equation, advantageous on a not—one-particle product basis set (1976) (1)
- An algorithm for the calculation of the net induction energy and induced multipole tensors in a set of charge distributions with non-linear contributions of all potentials of external fields and both permanent and induced multipoles (1986) (1)
- Abstract 807: Selamectin and ivermectin are small molecule inhibitors that interfere with Sin3A-PAH2 function and exert anti-tumor activity in triple-negative breast cancer (2014) (1)
- The Role of Internal Water in GPCR Complexes (2013) (1)
- Computational model of the full-length TSH receptor (2022) (1)
- Determination of many-particle integrals by the method of distance functions (1974) (1)
- THE DETAILED BALANCE ENERGY-SCALED DISPLACEMENT (2002) (1)
- Exploiting Sparse Statistics for a Sequence-Based Prediction of the Effect of Mutations (2019) (1)
- Substrate Binding and Inhibition of the Anion Exchanger 1 Transporter (2022) (1)
- Free energy simulations: Applications to the study of liquid water, hydrophobic interactions and solvent effects on conformational stability (1985) (1)
- Quantum Signature of Anisotropic Singularities in Hydrogen Bond Breaking of Water Dimer (2020) (0)
- Long-range contribution to inverse-distance power and Morse energy and pressure terms of a molecular liquid, tested on benzene (1994) (0)
- Modelling TSH and its Receptor Complex for Binding Affinity (2013) (0)
- Software News and Updates Simulaid: A Simulation Facilitator and Analysis Program (2010) (0)
- DOUBLE BASS AND PIANO (1972) (0)
- Two Studies using Circular Variance for Protein Structure Characterization (2016) (0)
- SAT-558 Tsh Modulation Of Bone Biology - Further Evidence From A Recombinant Tsh-β Variant. (2019) (0)
- Conformational Stability of Dimethyl Phosphate Anion in Water: Liquid-State Free Energy Simulations. (1988) (0)
- Predicting Transmembrane Dimerization and the Interfaces in Thyroid-Stimulating Hormone Receptor (TSHR) Using Brownian Dynamics Stimulation (2011) (0)
- Determination of molecular properties by the method of moments. II (1969) (0)
- Ligand-G Protein Allosteric Communication through Internal Waters in GPCR Complexes (2015) (0)
- Pspace: a program that assesses protein space (2007) (0)
- Monte Carlo Loop Refinement of Trans-Membrane Domain of the Thyroid Stimulating Hormone Receptor (2012) (0)
- Erratum: Monte Carlo analysis of conformational transitions in superhelical DNA [J. Chem. Phys. 103, 8653 (1995)] (1996) (0)
- Finding of the smallest enclosing cube to improve molecular modeling (2000) (0)
- Studies of base pair sequence effects on DNA solvation based on all-atom molecular dynamics simulations (2012) (0)
- Role of Water in Transmembrane Domain of G Protein-Coupled Receptors (2011) (0)
- Protein-Protein Docking Using a Brownian Dynamics Simulations Approach (2010) (0)
- Novel Approaches to the Study of Protein-Protein Interface Properties (2015) (0)
- Tools for Characterizing Proteins: Circular Variance, Mutual Proximity, Chameleon Sequences, and Subsequence Propensities. (2022) (0)
- The ABCs of molecular dynamics simulations on B-DNA, circa 2012 (2012) (0)
- Interface Volume As A Possible Diagnostic Of The Quality Of Protein-protein Docking (2009) (0)
- Structure Function Studies of a Novel Human TSH Beta Variant (2017) (0)
- Determination of molecular properties by the method of moments. III (1971) (0)
- OR10-2 A Modifying Autoantigen in Graves' Disease (2019) (0)
- Statistical Properties of Folded Proteins' Sequences: Predicting Foldability and Effect of Mutations (2020) (0)
- On the Possibility of Replacing the Backward Transformation in the Modified Simplex Method by a Forward Transformation (1973) (0)
- lucanthone and Hycanthone Inhibit Apurinic Endonuclease-1 by Direct Binding (2011) (0)
- Statistical Thermodynamics via Computer Simulation to Characterize Phospholipid Interactions in Membranes (2007) (0)
- RESEARCH NOTE The Anisotropic Virial-Biased Sampling for Monte Carlo Simulations in the Isobaric-Isothermal Ensemble (1999) (0)
- Chapter 8:Challenges in Applying Monte Carlo Sampling to Biomolecular Systems (2012) (0)
- Molecular Dynamics and Docking Studies on Neurotensin Receptor (2017) (0)
- EFFECTS OF BOUNDARY CONDITIONSON STRUCTURE AND ENERGY CALCULATIONS (1987) (0)
- STUDIES WITH THE LOCAL ENERGY METHOD (2005) (0)
- Using Force-Field Grids for Sampling Translation/Rotation of Partially Rigid Macromolecules (2017) (0)
- In Silico Modeling of Olfactory Receptor 4M1 and Biochemical Characterization of Novel Ligands in Tauopathy Attenuation (2016) (0)
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