Efficient Simulation Method for Polarizable Protein Force Fields: Application to the Simulation of BPTI in Liquid Water.
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Integrated Modeling Program, Applied Chemical Theory (IMPACT)MoD-QM/MM Structural Refinement Method: Characterization of Hydrogen Bonding in the Oxytricha nova G-QuadruplexForce Field for Peptides and Proteins based on the Classical Drude OscillatorAccurate Calculation of Hydration Free Energies using Pair-Specific Lennard-Jones Parameters in the CHARMM Drude Polarizable Force Field.Current status of the AMOEBA polarizable force fieldA polarizable force field of dipalmitoylphosphatidylcholine based on the classical Drude model for molecular dynamics simulations of lipids.CHARMM Drude Polarizable Force Field for Aldopentofuranoses and Methyl-aldopentofuranosides.Structure and dynamics of the solvation of bovine pancreatic trypsin inhibitor in explicit water: a comparative study of the effects of solvent and protein polarizability.Polarizable empirical force field for hexopyranose monosaccharides based on the classical Drude oscillator.A smoothly decoupled particle interface: new methods for coupling explicit and implicit solventPolarizable Atomic Multipole-based Molecular Mechanics for Organic MoleculesUnderstanding the dielectric properties of liquid amides from a polarizable force field.Application of a polarizable force field to calculations of relative protein-ligand binding affinitiesBiomolecular simulation and modelling: status, progress and prospects.Molecular modeling and dynamics studies with explicit inclusion of electronic polarizability. Theory and applicationsDevelopment of CHARMM polarizable force field for nucleic acid bases based on the classical Drude oscillator modelUsing electronic polarization from the internal continuum (EPIC) for intermolecular interactionsAn efficient and stable hybrid extended Lagrangian/self-consistent field scheme for solving classical mutual induction.On the performance of molecular polarization methods. II. Water and carbon tetrachloride close to a cation.Fast evaluation of polarizable forces.Interlaced P3M algorithm with analytical and ik-differentiation.Combining a polarizable force-field and a coarse-grained polarizable solvent model: application to long dynamics simulations of bovine pancreatic trypsin inhibitor.Electrostatics of proteins in dielectric solvent continua. II. First applications in molecular dynamics simulations.
P2860
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P2860
Efficient Simulation Method for Polarizable Protein Force Fields: Application to the Simulation of BPTI in Liquid Water.
description
2005 nî lūn-bûn
@nan
2005 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
2005 թվականի հունվարին հրատարակված գիտական հոդված
@hy
2005年の論文
@ja
2005年論文
@yue
2005年論文
@zh-hant
2005年論文
@zh-hk
2005年論文
@zh-mo
2005年論文
@zh-tw
2005年论文
@wuu
name
Efficient Simulation Method fo ...... ation of BPTI in Liquid Water.
@ast
Efficient Simulation Method fo ...... ation of BPTI in Liquid Water.
@en
type
label
Efficient Simulation Method fo ...... ation of BPTI in Liquid Water.
@ast
Efficient Simulation Method fo ...... ation of BPTI in Liquid Water.
@en
prefLabel
Efficient Simulation Method fo ...... ation of BPTI in Liquid Water.
@ast
Efficient Simulation Method fo ...... ation of BPTI in Liquid Water.
@en
P2093
P356
P1476
Efficient Simulation Method fo ...... ation of BPTI in Liquid Water.
@en
P2093
Byungchan Kim
Edward Harder
Richard A Friesner
P304
P356
10.1021/CT049914S
P577
2005-01-01T00:00:00Z