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The physical determinants of the DNA conformational landscape: an analysis of the potential energy surface of single-strand dinucleotides in the conformational space of duplex DNABiomolecular electrostatics and solvation: a computational perspectiveIn crystals of complexes of streptavidin with peptide ligands containing the HPQ sequence the pKa of the peptide histidine is less than 3.0Interactions of cholesterol with lipid bilayers: the preferred configuration and fluctuationsImplicit solvent model studies of the interactions of the influenza hemagglutinin fusion peptide with lipid bilayers.Protein-Ligand Electrostatic Binding Free Energies from Explicit and Implicit SolvationEmpirical relationships between protein structure and carboxyl pKa values in proteins.Heat conductivity of DNA double helixIncorporating protein conformational flexibility into the calculation of pH-dependent protein properties.Interactions of the M2delta segment of the acetylcholine receptor with lipid bilayers: a continuum-solvent model study.Enzyme-inhibitor association thermodynamics: explicit and continuum solvent studies.Diarylaniline derivatives as a distinct class of HIV-1 non-nucleoside reverse transcriptase inhibitorsSalt effects on peptide conformers: a dielectric study of tuftsinThe effect of protein relaxation on charge-charge interactions and dielectric constants of proteins.Free diffusion of steroid hormones across biomembranes: a simplex search with implicit solvent model calculationsInfluence of the solvent structure on the electrostatic interactions in proteins.Exploring a charge-central strategy in the solution of Poisson's equation for biomolecular applicationsA strategy for reducing gross errors in the generalized Born models of implicit solvation.KECSA-Movable Type Implicit Solvation Model (KMTISM).Exploring a coarse-grained distributive strategy for finite-difference Poisson-Boltzmann calculations.Dielectric Boundary Forces in Numerical Poisson-Boltzmann Methods: Theory and Numerical Strategies.pH titration studies of an SH2 domain-phosphopeptide complex: unusual histidine and phosphate pKa values.Acceleration of Linear Finite-Difference Poisson-Boltzmann Methods on Graphics Processing Units.Molecular dynamics: survey of methods for simulating the activity of proteins.Molecular dynamics simulation of highly charged proteins: comparison of the particle-particle particle-mesh and reaction field methods for the calculation of electrostatic interactions.Computational methods for biomolecular electrostatics.The electrostatic response of water to neutral polar solutes: implications for continuum solvent modeling.The ruggedness of protein-protein energy landscape and the cutoff for 1/r(n) potentials.Physical Modeling of Aqueous Solvation.Molecular modeling of nucleic Acid structure: electrostatics and solvation.A revised density function for molecular surface definition in continuum solvent models.Performance of Nonlinear Finite-Difference Poisson-Boltzmann Solvers.Dielectric screening effect of electronic polarization and intramolecular hydrogen bonding.Calculating protein-ligand binding affinities with MMPBSA: Method and error analysis.Assessment of linear finite-difference Poisson-Boltzmann solversIncreased concentration of polyvalent phospholipids in the adsorption domain of a charged protein.Continuum polarizable force field within the Poisson-Boltzmann framework.Accuracy of continuum electrostatic calculations based on three common dielectric boundary definitions.Reducing grid-dependence in finite-difference Poisson-Boltzmann calculations.Dielectric pressure in continuum electrostatic solvation of biomolecules.
P2860
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P2860
description
1995 nî lūn-bûn
@nan
1995年の論文
@ja
1995年論文
@yue
1995年論文
@zh-hant
1995年論文
@zh-hk
1995年論文
@zh-mo
1995年論文
@zh-tw
1995年论文
@wuu
1995年论文
@zh
1995年论文
@zh-cn
name
Theory of electrostatic interactions in macromolecules.
@en
type
label
Theory of electrostatic interactions in macromolecules.
@en
prefLabel
Theory of electrostatic interactions in macromolecules.
@en
P1476
Theory of electrostatic interactions in macromolecules.
@en
P2093
P304
P356
10.1016/0959-440X(95)80079-4
P577
1995-04-01T00:00:00Z