Douglas J. Tobias
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Douglas J. Tobiaschemistry Degrees
Chemistry
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Computational Chemistry
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Physical Chemistry
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Chemistry Physics
Douglas J. Tobias's Degrees
- PhD Chemistry University of California, Berkeley
- Bachelors Chemistry University of California, Berkeley
Why Is Douglas J. Tobias Influential?
(Suggest an Edit or Addition)Douglas J. Tobias'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
- Constant pressure molecular dynamics algorithms (1994) (3867)
- Update of the CHARMM all-atom additive force field for lipids: validation on six lipid types. (2010) (3183)
- Explicit reversible integrators for extended systems dynamics (1996) (1291)
- Specific ion effects at the air/water interface. (2006) (1073)
- Ions at the Air/Water Interface (2002) (530)
- Molecular Structure of Salt Solutions: A New View of the Interface with Implications for Heterogeneous Atmospheric Chemistry (2001) (504)
- Role of protein-water hydrogen bond dynamics in the protein dynamical transition. (2002) (338)
- Unified molecular picture of the surfaces of aqueous acid, base, and salt solutions. (2005) (300)
- Getting Specific About Specific Ion Effects (2008) (265)
- The dynamics of protein hydration water: a quantitative comparison of molecular dynamics simulations and neutron-scattering experiments. (2000) (254)
- Interface connections of a transmembrane voltage sensor. (2005) (215)
- Statistical clustering techniques for the analysis of long molecular dynamics trajectories: analysis of 2.2-ns trajectories of YPGDV. (1993) (204)
- Translational diffusion of hydration water correlates with functional motions in folded and intrinsically disordered proteins (2015) (179)
- Structure and hydration of membranes embedded with voltage-sensing domains (2009) (178)
- Watching the low-frequency motions in aqueous salt solutions: the terahertz vibrational signatures of hydrated ions. (2012) (174)
- Constant pressure and temperature molecular dynamics simulation of a fully hydrated liquid crystal phase dipalmitoylphosphatidylcholine bilayer. (1995) (170)
- Atomic-scale molecular dynamics simulations of lipid membranes (1997) (167)
- Constant-pressure molecular dynamics investigation of cholesterol effects in a dipalmitoylphosphatidylcholine bilayer. (1998) (165)
- Air-liquid interfaces of aqueous solutions containing ammonium and sulfate: spectroscopic and molecular dynamics studies. (2005) (162)
- Coincidence of dynamical transitions in a soluble protein and its hydration water: direct measurements by neutron scattering and MD simulations. (2008) (158)
- Experimental validation of molecular dynamics simulations of lipid bilayers: a new approach. (2005) (155)
- Propensity of soft ions for the air/water interface (2004) (153)
- Conformational equilibrium in the alanine dipeptide in the gas phase and aqueous solution : a comparison of theoretical results (1992) (146)
- Simulation and theory of ions at atmospherically relevant aqueous liquid-air interfaces. (2013) (131)
- Coupling of protein and hydration-water dynamics in biological membranes (2007) (126)
- Molecular dynamics investigation of the structure of a fully hydrated gel-phase dipalmitoylphosphatidylcholine bilayer. (1996) (124)
- Thermodynamics and mechanism of alpha helix initiation in alanine and valine peptides. (1991) (124)
- Molecular dynamics simulations of a protein in the canonical ensemble (1993) (123)
- Solvation of magnesium dication: molecular dynamics simulation and vibrational spectroscopic study of magnesium chloride in aqueous solutions. (2010) (122)
- Formation of Molecular Bromine from the Reaction of Ozone with Deliquesced NaBr Aerosol: Evidence for Interface Chemistry (2004) (112)
- Arginine in Membranes: The Connection Between Molecular Dynamics Simulations and Translocon-Mediated Insertion Experiments (2010) (110)
- Hydroxide anion at the air–water interface (2009) (107)
- Surface solvation of halogen anions in water clusters: An ab initio molecular dynamics study of the Cl−(H2O)6 complex (2001) (106)
- Molecular dynamics simulations of atmospheric oxidants at the air-water interface: solvation and accommodation of OH and O3. (2005) (105)
- Polarizability of the nitrate anion and its solvation at the air/water interface (2003) (104)
- Ion specificity at the peptide bond: molecular dynamics simulations of N-methylacetamide in aqueous salt solutions. (2010) (102)
- Allosteric mechanism of water channel gating by Ca2+–calmodulin (2013) (102)
- Hydroxyl radical at the air-water interface. (2004) (101)
- Interaction of Gas-Phase Ozone at 296 K with Unsaturated Self-Assembled Monolayers: A New Look at an Old System (2004) (100)
- Introduction: Structure and Chemistry at Aqueous Interfaces (2006) (95)
- Structure and dynamics of the aqueous liquid-vapor interface: a comprehensive particle-based simulation study. (2006) (95)
- Chloride Anion on Aqueous Clusters, at the Air−Water Interface, and in Liquid Water: Solvent Effects on Cl- Polarizability (2002) (90)
- Spatial dependence of protein-water collective hydrogen-bond dynamics. (2013) (90)
- Insertion of short transmembrane helices by the Sec61 translocon (2009) (88)
- Ion spatial distributions at the liquid-vapor interface of aqueous potassium fluoride solutions. (2008) (87)
- A voltage-sensor water pore. (2006) (84)
- Toward a unified picture of the water self-ions at the air-water interface: a density functional theory perspective. (2014) (83)
- Re-examining the properties of the aqueous vapor-liquid interface using dispersion corrected density functional theory. (2011) (83)
- Polarizability and aqueous solvation of the sulfate dianion (2003) (79)
- Hydration water mobility is enhanced around tau amyloid fibers (2015) (79)
- Nanosecond time scale folding dynamics of a pentapeptide in water. (1991) (78)
- Molecular dynamics with internal coordinate constraints (1988) (78)
- Electrostatics calculations: recent methodological advances and applications to membranes. (2001) (77)
- Molecular dynamics simulations of the solution-air interface of aqueous sodium nitrate. (2007) (77)
- Molecular Dynamics Simulation of Tetradecyltrimethylammonium Bromide Monolayers at the Air/Water Interface (1995) (76)
- Structure and vibrational spectroscopy of salt water/air interfaces: predictions from classical molecular dynamics simulations. (2005) (75)
- Surface Effects on Aqueous Ionic Solvation: A Molecular Dynamics Simulation Study of NaCl at the Air/Water Interface from Infinite Dilution to Saturation (2000) (74)
- Real-Time Monitoring of the Kinetics and Gas-Phase Products of the Reaction of Ozone with an Unsaturated Phospholipid at the Air−Water Interface (2000) (73)
- Single-particle and collective dynamics of protein hydration water: a molecular dynamics study. (2002) (73)
- Molecular biophysics of Orai store-operated Ca2+ channels. (2015) (69)
- Does Nitric Acid Dissociate at the Aqueous Solution Surface (2011) (68)
- Water wires in atomistic models of the Hv1 proton channel. (2012) (66)
- Molecular Dynamics Simulations of a Calcium Carbonate/Calcium Sulfonate Reverse Micelle† (1996) (65)
- Separating instability from aggregation propensity in γS-crystallin variants. (2011) (64)
- Acyl-chain methyl distributions of liquid-ordered and -disordered membranes. (2011) (64)
- Reverse turns in blocked dipeptides are intrinsically unstable in water. (1990) (62)
- Electrochemical Surface Potential Due to Classical Point Charge Models Drives Anion Adsorption to the Air-Water Interface. (2013) (62)
- Reaction paths and free energy profiles for conformational transitions: An internal coordinate approach (1991) (60)
- Thermodynamics of amide hydrogen bond formation in polar and apolar solvents. (1989) (60)
- Calculation of free energy surfaces using the methods of thermodynamic perturbation theory (1987) (58)
- Enhanced surface photochemistry in chloride-nitrate ion mixtures. (2008) (57)
- Ambient Pressure X-ray Photoelectron Spectroscopy and Molecular Dynamics Simulation Studies of Liquid/Vapor Interfaces of Aqueous NaCl, RbCl, and RbBr Solutions (2012) (55)
- On NO3--H2O interactions in aqueous solutions and at interfaces. (2006) (55)
- Surface organization of aqueous MgCl2 and application to atmospheric marine aerosol chemistry (2010) (55)
- Relation between surface tension and ion adsorption at the air-water interface: a molecular dynamics simulation study. (2009) (54)
- Short wavelength collective dynamics in phospholipid bilayers: a molecular dynamics study. (2001) (54)
- Proton-coupled dynamics in lactose permease. (2012) (53)
- Experimental and theoretical characterization of adsorbed water on self-assembled monolayers: understanding the interaction of water with atmospherically relevant surfaces. (2009) (53)
- On the Coupling between the Collective Dynamics of Proteins and Their Hydration Water. (2014) (52)
- The low-temperature inflection observed in neutron scattering measurements of proteins is due to methyl rotation: direct evidence using isotope labeling and molecular dynamics simulations. (2010) (51)
- Uptake and Collision Dynamics of Gas Phase Ozone at Unsaturated Organic Interfaces (2004) (51)
- Self-induced docking site of a deeply embedded peripheral membrane protein. (2007) (50)
- Investigation of finite system-size effects in molecular dynamics simulations of lipid bilayers. (2006) (49)
- Accommodation coefficients for water vapor at the air/water interface (2004) (49)
- Terahertz absorption of dilute aqueous solutions. (2012) (48)
- Environmental Dependence of the Dynamics of Protein Hydration Water (1999) (48)
- Thermodynamics of iodide adsorption at the instantaneous air-water interface. (2013) (48)
- The thermodynamics of solvophobic effects: A molecular‐dynamics study of n‐butane in carbon tetrachloride and water (1990) (48)
- Nitrate ion photolysis in thin water films in the presence of bromide ions. (2011) (47)
- Methyl group dynamics as a probe of the protein dynamical transition. (2004) (46)
- Dynamics of SecY translocons with translocation-defective mutations. (2010) (46)
- Structure of large nitrate-water clusters at ambient temperatures: simulations with effective fragment potentials and force fields with implications for atmospheric chemistry. (2009) (46)
- Effects of solvent damping on side chain and backbone contributions to the protein boson peak (2001) (44)
- Anomalous behavior of water inside the SecY translocon (2015) (43)
- Vector and parallel algorithms for the molecular dynamics simulation of macromolecules on shared‐memory computers (1991) (42)
- Dissociation of strong acid revisited: X-ray photoelectron spectroscopy and molecular dynamics simulations of HNO3 in water. (2011) (42)
- The impact of clothing on ozone and squalene ozonolysis products in indoor environments (2019) (41)
- Molecular dynamics simulations of supported phospholipid/alkanethiol bilayers on a gold(111) surface. (1999) (41)
- Inertial suppression of protein dynamics in a binary glycerol-trehalose glass. (2006) (40)
- Hygroscopic growth and deliquescence of NaCl nanoparticles mixed with surfactant SDS. (2010) (40)
- Amplitudes and Frequencies of Protein Dynamics: Analysis of Discrepancies between Neutron Scattering and Molecular Dynamics Simulations (2000) (40)
- MOLECULAR DYNAMICS INVESTIGATION OF THE SURFACE/BULK EQUILIBRIUM IN AN ETHANOL-WATER SOLUTION (1996) (40)
- Molecular dynamics simulations of a protein on hydrophobic and hydrophilic surfaces. (1996) (39)
- Short Wavelength Collective Dynamics in Phospholipid Bilayers (2001) (39)
- Outer membrane phospholipase A in phospholipid bilayers: a model system for concerted computational and experimental investigations of amino acid side chain partitioning into lipid bilayers. (2012) (39)
- Microscopic wetting of mixed self-assembled monolayers: a molecular dynamics study. (2009) (38)
- Down-state model of the voltage-sensing domain of a potassium channel. (2010) (36)
- Sensitivity of 2D IR spectra to peptide helicity: a concerted experimental and simulation study of an octapeptide. (2009) (36)
- The role of packing interactions in stabilizing folded proteins. (1992) (35)
- Investigation of Interfacial and Bulk Dissociation of HBr, HCl, and HNO3 Using Density Functional Theory-Based Molecular Dynamics Simulations (2014) (35)
- Molecular dynamics simulations of a pulmonary surfactant protein B peptide in a lipid monolayer. (2003) (34)
- Coupling of retinal, protein, and water dynamics in squid rhodopsin. (2010) (34)
- Assessment of all-atom potentials for modeling membranes (1997) (33)
- Spectral signatures of the pentagonal water cluster in bacteriorhodopsin. (2008) (33)
- The adamantyl group in medicinal agents. IV. Sedative action of 3,5,7-trimethyladamantane-1-carboxamide and related agents. (1967) (33)
- Stability of a model β-sheet in water (1992) (30)
- Effect of magnesium cation on the interfacial properties of aqueous salt solutions. (2010) (29)
- Calmodulin Gates Aquaporin 0 Permeability through a Positively Charged Cytoplasmic Loop* (2016) (29)
- Modeling Protein Homopolymeric Repeats: Possible Polyglutamine Structural Motifs for Huntington's Disease (1998) (29)
- Quantitative interpretation of molecular dynamics simulations for X-ray photoelectron spectroscopy of aqueous solutions. (2016) (28)
- Interleaflet mixing and coupling in liquid-disordered phospholipid bilayers. (2016) (28)
- Assembly and Stability of α-Helical Membrane Proteins. (2012) (28)
- Molecular dynamics investigation of an ethanol-water solution (1996) (27)
- Molecular dynamics simulations of a hydrated protein vectorially oriented on polar and nonpolar soft surfaces. (2002) (27)
- A molecular picture of surface interactions of organic compounds on prevalent indoor surfaces: limonene adsorption on SiO2 (2019) (27)
- Specific cation effects at aqueous solution−vapor interfaces: Surfactant-like behavior of Li+ revealed by experiments and simulations (2017) (26)
- Hydration dynamics of purple membranes. (2009) (25)
- Hydration dynamics in a partially denatured ensemble of the globular protein human alpha-lactalbumin investigated with molecular dynamics simulations. (2008) (25)
- Interaction of water vapor with the surfaces of imidazolium-based ionic liquid nanoparticles and thin films. (2012) (25)
- Nitrate ion photochemistry at interfaces: a new mechanism for oxidation of alpha-pinene. (2008) (24)
- Microscopic origin of gating current fluctuations in a potassium channel voltage sensor. (2012) (24)
- Constant Pressure and Temperature Molecular Dynamics Simulations of Crystals of the Lecithin Fragments: Glycerylphosphorylcholine and Dilauroylglycerol (1995) (24)
- Conformational flexibility in free energy simulations (1989) (23)
- A transporter converted into a sensor, a phototaxis signaling mutant of bacteriorhodopsin at 3.0 Å. (2012) (23)
- What Is the Driving Force behind the Adsorption of Hydrophobic Molecules on Hydrophilic Surfaces? (2019) (23)
- Voltage-dependent structural models of the human Hv1 proton channel from long-timescale molecular dynamics simulations (2020) (22)
- Thermal fluctuations of the unusually symmetric and stable superoxide tetrahydrate complex: An ab initio molecular dynamics study (2002) (22)
- Orientation and Structure of Acetonitrile in Water at the Liquid–Vapor Interface: A Molecular Dynamics Simulation Study (2016) (22)
- Structural plasticity in the topology of the membrane-interacting domain of HIV-1 gp41. (2014) (21)
- Crystal Structure of Cindoxin, the P450cin Redox Partner (2014) (21)
- Coupling between the voltage-sensing and pore domains in a voltage-gated potassium channel. (2012) (20)
- Dynamics of the internal water molecules in squid rhodopsin. (2009) (20)
- Solvent-Shared Ion Pairs at the Air-Solution Interface of Magnesium Chloride and Sulfate Solutions Revealed by Sum Frequency Spectroscopy and Molecular Dynamics Simulations. (2017) (20)
- Diffraction-based density restraints for membrane and membrane-peptide molecular dynamics simulations. (2006) (19)
- Multiscale Modeling of Human Skin Oil-Induced Indoor Air Chemistry: Combining Kinetic Models and Molecular Dynamics. (2020) (19)
- Specific Anion Effects on Na+ Adsorption at the Aqueous Solution-Air Interface: MD Simulations, SESSA Calculations, and Photoelectron Spectroscopy Experiments. (2017) (19)
- The role of protein–solvent hydrogen bond dynamics in the structural relaxation of a protein in glycerol versus water (2008) (19)
- Experimental and Simulation Studies of Aquaporin 0 Water Permeability and Regulation. (2019) (18)
- Increased hydrophobic surface exposure in the cataract-related G18V variant of human γS-crystallin. (2016) (18)
- Modern Computational Methodology Applied to the Simulation of Blocked Trialanine Peptide in Vacuo, Water Clusters, and Bulk Water (1997) (17)
- Electronic Polarization and Hydration of the Dimethyl phosphate Anion: An ab Initio Molecular Dynamics Study (2001) (17)
- Ab initio molecular dynamics study of the solvated OHCl- complex: implications for the atmospheric oxidation of chloride anion to molecular chlorine. (2008) (17)
- Transmembrane helices containing a charged arginine are thermodynamically stable (2017) (16)
- Two transmembrane dimers of the bovine papillomavirus E5 oncoprotein clamp the PDGF β receptor in an active dimeric conformation (2017) (16)
- Refining Protein Penetration into the Lipid Bilayer Using Fluorescence Quenching and Molecular Dynamics Simulations: The Case of Diphtheria Toxin Translocation Domain (2018) (16)
- Structural Relaxation Processes and Collective Dynamics of Water in Biomolecular Environments. (2019) (15)
- Structural dynamics of the S4 voltage-sensor helix in lipid bilayers lacking phosphate groups. (2011) (15)
- Voltage Sensing in Membranes: From Macroscopic Currents to Molecular Motions (2015) (15)
- Direct Evidence of Conformational Changes Associated with Voltage Gating in a Voltage Sensor Protein by Time-Resolved X-ray/Neutron Interferometry (2014) (15)
- Production of gas phase NO2 and halogens from the photolysis of thin water films containing nitrate, chloride and bromide ions at room temperature. (2013) (14)
- Structural characterization of the voltage-sensor domain and voltage-gated K+-channel proteins vectorially oriented within a single bilayer membrane at the solid/vapor and solid/liquid interfaces via neutron interferometry. (2012) (14)
- Validation of depth-dependent fluorescence quenching in membranes by molecular dynamics simulation of tryptophan octyl ester in POPC bilayer. (2013) (14)
- Interactions of Cl- and OH radical in aqueous solution. (2009) (14)
- Modelling consortium for chemistry of indoor environments (MOCCIE): integrating chemical processes from molecular to room scales. (2019) (14)
- Molecular Dynamics Simulations of a Powder Model of the Intrinsically Disordered Protein Tau. (2015) (13)
- A simple protocol for identification of helical and mobile residues in membrane proteins. (1995) (13)
- Interactions of tyrosine in Leu-enkephalin at a membrane-water interface: an ultrafast two-dimensional infrared study combined with density functional calculations and molecular dynamics simulations. (2010) (13)
- Molecular mechanism of aggregation of the cataract-related γD-crystallin W42R variant from multiscale atomistic simulations. (2019) (12)
- Molecular dynamics simulation of Pf1 coat protein. (1993) (12)
- Experimental and theoretical studies of the interaction of gas phase nitric acid and water with a self-assembled monolayer. (2013) (12)
- Multi-Conformation Monte Carlo: A Method for Introducing Flexibility in Efficient Simulations of Many-Protein Systems. (2016) (12)
- Characterization of sub-nanosecond dynamics of the molten globule state of α-lactalbumin using quasielastic neutron scattering and molecular dynamics simulations (2003) (12)
- Direct comparisons of experimental and calculated neutron structure factors of pure solvents as a method for force field validation. (2007) (11)
- Cooperativity and allostery in aquaporin 0 regulation by Ca2. (2019) (11)
- Molecular Simulations On Supercomputers (1991) (10)
- Impact of Adsorbed Water on the Interaction of Limonene with Hydroxylated SiO2: Implications of π-Hydrogen Bonding for Surfaces in Humid Environments. (2020) (10)
- "Bind and Crawl" Association Mechanism of Leishmania major Peroxidase and Cytochrome c Revealed by Brownian and Molecular Dynamics Simulations. (2015) (9)
- Atomistic Modeling of Ion Conduction through the Voltage-Sensing Domain of the Shaker K+ Ion Channel. (2017) (9)
- Molecular Orientation at the Squalene/Air Interface from Sum Frequency Generation Spectroscopy and Atomistic Modeling. (2021) (9)
- Molecular dynamics simulations of aqueous pullulan oligomers. (2005) (9)
- HIFs: New arginine mimic inhibitors of the Hv1 channel with improved VSD–ligand interactions (2021) (8)
- Electrostatic interactions and hydrogen bond dynamics in chloride pumping by halorhodopsin. (2014) (8)
- Stability of a model beta-sheet in water. (1992) (7)
- Interactions of gaseous HNO3 and water with individual and mixed alkyl self-assembled monolayers at room temperature. (2014) (6)
- Thermodynamics and Mechanism of the Membrane Permeation of Hv1 Channel Blockers (2020) (6)
- D2O Water Interaction with Textured Carboxylic Acid-Terminated Monolayer Surfaces Characterized by Temperature-Programmed Desorption and Molecular Dynamics (2010) (6)
- A comment on "pH and the surface tension of water" (J. K. Beattie, A. M. Djerdjev, A. Gray-Weale, N. Kallay, J. Lützenkirchen, T. Preočanin, A. Selmani, J. Colloid Interface Sci. 422 (2014) 54.). (2015) (6)
- Human αB-crystallin discriminates between aggregation-prone and function-preserving variants of a client protein. (2019) (5)
- Adsorption of constitutional isomers of cyclic monoterpenes on hydroxylated silica surfaces. (2021) (5)
- Role of Conformational Flexibility in Monte Carlo Simulations of Many-Protein Systems. (2019) (5)
- A novel Hv1 inhibitor reveals a new mechanism of inhibition of a voltage-sensing domain (2021) (5)
- Molecular Arrangement of a Mixture of Organosulfur Surfactants at the Aqueous Solution–Vapor Interface Studied by Photoelectron Intensity and Angular Distribution Measurements and Molecular Dynamics Simulations (2018) (5)
- Specific ion interactions with aromatic rings in aqueous solutions: Comparison of molecular dynamics simulations with a thermodynamic solute partitioning model and Raman spectroscopy (2015) (5)
- Simulated photoelectron intensities at the aqueous solution-air interface for flat and cylindrical (microjet) geometries. (2017) (4)
- Heterogeneous Interactions of Prevalent Indoor Oxygenated Organic Compounds on Hydroxylated SiO2 Surfaces. (2021) (4)
- Gating energetics of a voltage‐dependent K+ channel pore domain (2017) (4)
- Insights on small molecule binding to the Hv1 proton channel from free energy calculations with molecular dynamics simulations (2020) (4)
- Multiphase Ozonolysis of Oleic Acid-Based Lipids: Quantitation of Major Products and Kinetic Multilayer Modeling. (2022) (3)
- The Stability of Protein Secondary Structures in Aqueous Solution (2008) (2)
- Multi-Microsecond Molecular Dynamics Simulations of the HV1 Proton Channel (2016) (2)
- Ca2+‐dependent interactions between lipids and the tumor‐targeting peptide pHLIP (2022) (2)
- Molecular Dynamics Investigation of the Lamellar Liquid-Crystal D-Phase in the Octylammonium Chloride/Water System (1996) (2)
- Voltage-Dependent Profile Structures of a Kv-Channel via Time-Resolved Neutron Interferometry. (2019) (2)
- Subnanosecond Dynamics of Proteins in Solution: MD Simulations and Inelastic Neutron Scattering (2006) (2)
- GPCR Activation on the Microsecond Timescale in MD Simulations (2013) (2)
- Effects of Cardiolipin on the Conformational Dynamics of Membrane-Anchored Bcl-xL (2021) (2)
- Down-State Model of the KvAP Full Channel (2010) (2)
- Diffusivelike Motions in a Solvent-Free Protein-Polymer Hybrid. (2021) (2)
- Atomistic Molecular Dynamics Simulations of Drosophila Orai in a Hydrated Lipid Bilayer (2014) (1)
- Protein Hydration Water (2003) (1)
- Voltage Sensing in Membranes: From Macroscopic Currents to Molecular Motions (2015) (1)
- Structure of a DOTAP Lipid Bilayer: A Concerted Neutron Scattering and Molecular Dynamics Study (2010) (1)
- Network Hamiltonian Models for Unstructured Protein Aggregates, with Application to γD-Crystallin. (2022) (1)
- Rationally Designed Proton Channel Inhibitors Reveal a Druggable Pocket in a Voltage-sensing Domain (2020) (1)
- Preface: Special Topic on Ions in Water. (2018) (1)
- Heterogeneous Interactions between Carvone and Hydroxylated SiO2 (2022) (1)
- Thermal Fluctuations of the Unusually Symmetric and Stable Superoxide Tetrahydrate Complex: An ab initio Molecular Dynamics Study. (2003) (1)
- A Molecular Dynamics Study of the AQP0-CaM Interaction (2010) (0)
- Structure of Leishmania major peroxidase D211N mutant (2015) (0)
- Stimuli responsive hierarchical assembly of supramolecular conductive fibers from coiled-coil building blocks. (2023) (0)
- Opening the SecYEG Protein Translocon (2009) (0)
- Insights into the role of solvent on the glass dynamics of proteins through the use of molecular dynamics calculations (2002) (0)
- Calcium-dependent membrane interactions of tumor-targeting peptide pHLIP. (2023) (0)
- Conformational Changes in Voltage-Sensing Domains: Concerted Simulation and Scattering Studies (2015) (0)
- An ab initio Molecular Dynamics study of the solvated OHCl- complex. Implications for the atmospheric oxidation of (Cl-)aq to (Cl2)g (2007) (0)
- Hot and crowded: new insights into the dynamics of thermophilic enzymes from multiscale modeling. (2011) (0)
- Molecular Dynamics Simulation Studies of Ion Permeation Pathways and Energetics in the Hv1 Proton Channel (2013) (0)
- Dynamics of Water Inside the Secy Translocon Complex (2013) (0)
- Voltage-Gating in the Hv1 Proton Channel: Clues from Atomistic Molecular Dynamics Simulations (2012) (0)
- Exploring the Interactions between a Coiled-Coil Model Peptide System and Metallated Porphyrins towards the Design of Photoelectronically active Biomaterials (2017) (0)
- Neutron Scattering and MD Simulation Study of DOPC and DOPC/cholesterol Bilayers (2010) (0)
- 8 th Annual Institute for Genomics & Bioinformatics ( IGB ) Biomedical Informatics Training ( BIT ) Program Symposium (2008) (0)
- Cover Picture: Towards a Quantitative Understanding of Protein Hydration and Volumetric Properties / Intrinsic Volumetric Properties of Trialanine Isomers in Aqueous Solution / Temperature and Concentration Effects on the Solvophobic Solvation of Methane (2008) (0)
- Festschrift in the Honor of Stephen H. White’s 70th Birthday (2010) (0)
- Adsorption of 6-MHO on two indoor relevant surface materials: SiO2 and TiO2. (2023) (0)
- Incorporation of Fluorescently Tagged Chemokine Receptor 5 (CCR5) into Membrane Nanoparticles (2013) (0)
- This paper is published as part of Faraday Discussions volume 141 (2009) (0)
- Computational Modeling of Excitation Energy Transfer in Xanthorhodopsin, a Model Light-Harvesting System (2012) (0)
- Fully Hydrated Gel-Phase (2005) (0)
- Computational Study of Anthracycline Interactions with Membrane-Embedded P-Glycoprotein (2016) (0)
- Molecular Dynamics Simulations of Gammas-Crystallin (2013) (0)
- Proton Conduction via Water Wire in the Hv1 Proton Channel (2011) (0)
- Transmembrane helices containing a charged arginine are thermodynamically stable (2017) (0)
- Opening the Protein Translocon (2011) (0)
- Down-State Model of the KvAP Voltage-Sensing Domain (2009) (0)
- Introducing Molecular Flexibility in Efficient Simulations of Many-Protein Systems (2015) (0)
- Insights into the solubility of γ $$ \gamma $$ D-crystallin from multiscale atomistic simulations. (2023) (0)
- Comparison of the Adsorption–Desorption Kinetics of Limonene and Carvone on TiO2 and SiO2 Surfaces under Different Relative Humidity Conditions (2022) (0)
- Anomalous Diffusion of Peripheral Membrane Signaling Proteins from All-Atom Molecular Dynamics Simulations. (2021) (0)
- A potassium Channel Voltage-Sensing Domain in a Non-Phospholipid Bilayer (2011) (0)
- Association Mechanism of Leishmania major Peroxidase and cytochrome c revealed through Brownian and Molecular Dynamics (2016) (0)
- OXIDATION OF NaBr AEROSOL BY OZONE: IMPORTANCE OF A SURFACE REACTION (2004) (0)
- An Arginine-Rich Loop is Critical for the Modulation of the Water Permeability of Aquaporin 0 (2016) (0)
- Elucidating Elastic Network Model Robustness by Parametrization with Molecular Dynamics (2012) (0)
- The Kv1.2 Paddle Chimera Channel in a Lipid Bilayer (2009) (0)
- Heterogeneity of Water Dynamics of Hydrated Lipid Bilayers in Atomistic MD Simulations (2012) (0)
- Locked on One Side Only: Computer Simulations of the Outer Membrane Efflux Duct TolC in Absence and Presence of the AcrB-Docking-Domain (2012) (0)
- How Binding of the Signal Peptide Unlocks the Translocon (2010) (0)
- Refining Analysis of Membrane Penetration with Depth-Dependent Fluorescence Quenching and Molecular Dynamics Simulations (2014) (0)
- Atomistic Modeling of Ion Conduction through Voltage-Sensing Domains (2014) (0)
- Pseudo-atomic model of the Aquaporin-0/Calmodulin complex derived from electron microscopy (2013) (0)
- Unveiling Potential Binding Sites in the Hv1 Four Helix Bundle (2015) (0)
- Is Nitrate Photolysis Affected by the Presence of Bromide Ions (2008) (0)
- The Chemistry of Mixed Sodium Chloride and Sodium Nitrate Aerosol Particles: Impacts of a Secondary Inorganic Ion on Gas Phase Chlorine Production (2005) (0)
- Probing Piezo1 diffusion heterogeneity via single particle tracking and machine learning (2022) (0)
- EMSL Science Theme Advisory Panel Workshop - Atmospheric Aerosol Chemistry, Climate Change, and Air Quality (2013) (0)
- Computational Insights on Small Molecule Binding to the Hv1 Proton Channel (2019) (0)
- Structural Dynamics of the S4 Voltage Sensor Helix in Bilayers Lacking Lipid Phosphates (2011) (0)
- Interactions of limonene and carvone on titanium dioxide surfaces. (2022) (0)
- TITLE:: HIGH TEMPERATURE RESISTANCE AND REACTIVITY OF CARBON NANOTUBE ELECTRONIC CIRCUITS (2010) (0)
- Single-particle tracking and machine-learning classification reveals heterogeneous Piezo1 diffusion (2022) (0)
- Refining Protein Penetration into the Lipid Bilayer Using Fluorescence Quenching and Molecular Dynamics Simulations: The Case of Diphtheria Toxin Translocation Domain (2018) (0)
- Microsecond Dynamics of the G-Protein Coupled Receptor Squid Rhodopsin in Atomistic Detail (2012) (0)
- Mechanism of G-Protein Coupled Receptor Activation (2011) (0)
- CaM Induced Gating Mechanism of AQP0 (2012) (0)
- Modeling Interprotein Interactions in Concentrated Solutions of Wild-Type and Cataract-Related Variants of γD- and γS-Crystallins (2016) (0)
- Long Distance Lipid: Protein Coupling in the Protein Translocon (2012) (0)
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What Schools Are Affiliated With Douglas J. Tobias?
Douglas J. Tobias is affiliated with the following schools:
