CHARMM fluctuating charge force field for proteins: II protein/solvent properties from molecular dynamics simulations using a nonadditive electrostatic model.
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CHARMM: the biomolecular simulation programThe Use of Multiscale Molecular Simulations in Understanding a Relationship between the Structure and Function of Biological Systems of the Brain: The Application to Monoamine Oxidase EnzymesVisualizing functional motions of membrane transporters with molecular dynamics simulationsBiomolecular electrostatics and solvation: a computational perspectiveRecent Advances in Polarizable Force Fields for Macromolecules: Microsecond Simulations of Proteins Using the Classical Drude Oscillator ModelConformational analysis of Clostridium difficile toxin B and its implications for substrate recognitionRecent Developments and Applications of the CHARMM force fieldsMoD-QM/MM Structural Refinement Method: Characterization of Hydrogen Bonding in the Oxytricha nova G-QuadruplexAn Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent ApplicationsForce Field for Peptides and Proteins based on the Classical Drude OscillatorMetal Ion Modeling Using Classical MechanicsTrends in template/fragment-free protein structure predictionCharge equilibration force fields for molecular dynamics simulations of lipids, bilayers, and integral membrane protein systems.Membrane association of the PTEN tumor suppressor: electrostatic interaction with phosphatidylserine-containing bilayers and regulatory role of the C-terminal tail.Molecular dynamics of a protein surface: ion-residues interactionsAccurate 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 fieldPolarizable intermolecular potentials for water and benzene interacting with halide and metal ions.CHARMM Drude Polarizable Force Field for Aldopentofuranoses and Methyl-aldopentofuranosides.Theoretical study of the hydrated Gd3+ ion: structure, dynamics, and charge transfer.Strike a balance: optimization of backbone torsion parameters of AMBER polarizable force field for simulations of proteins and peptides.Gaussian Multipole Model (GMM)Potential energy functions for atomic-level simulations of water and organic and biomolecular systemsCapturing Many-Body Interactions with Classical Dipole Induction Models.Three-dimensional molecular theory of solvation coupled with molecular dynamics in Amber.Functional role of glutamine 28 and arginine 39 in double stranded RNA cleavage by human pancreatic ribonuclease.Role of electrostatics in modulating hydrophobic interactions and barriers to hydrophobic assembly.Induction of peptide bond dipoles drives cooperative helix formation in the (AAQAA)3 peptidePolarizable empirical force field for hexopyranose monosaccharides based on the classical Drude oscillator.Nonadditive empirical force fields for short-chain linear alcohols: methanol to butanol. Hydration free energetics and Kirkwood-Buff analysis using charge equilibration modelsAtomic forces for geometry-dependent point multipole and gaussian multipole models.Electrostatic contribution from solvent in modulating single-walled carbon nanotube associationProton Transfer Studied Using a Combined Ab Initio Reactive Potential Energy Surface with Quantum Path Integral MethodologyThermodynamic and structural properties of methanol-water solutions using nonadditive interaction models.Electrostatic properties of aqueous salt solution interfaces: a comparison of polarizable and nonpolarizable ion models.Binding structures of tri-N-acetyl-β-glucosamine in hen egg white lysozyme using molecular dynamics with a polarizable force field.Liquid-vapor interfacial properties of aqueous solutions of guanidinium and methyl guanidinium chloride: influence of molecular orientation on interface fluctuations.Large domain motions in Ago protein controlled by the guide DNA-strand seed region determine the Ago-DNA-mRNA complex recognition processDevelopment of a polarizable intermolecular potential function (PIPF) for liquid amides and alkanes.The Design of a Next Generation Force Field: The X-POL Potential
P2860
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P2860
CHARMM fluctuating charge force field for proteins: II protein/solvent properties from molecular dynamics simulations using a nonadditive electrostatic model.
description
2004 nî lūn-bûn
@nan
2004 թուականի Սեպտեմբերին հրատարակուած գիտական յօդուած
@hyw
2004 թվականի սեպտեմբերին հրատարակված գիտական հոդված
@hy
2004年の論文
@ja
2004年論文
@yue
2004年論文
@zh-hant
2004年論文
@zh-hk
2004年論文
@zh-mo
2004年論文
@zh-tw
2004年论文
@wuu
name
CHARMM fluctuating charge forc ...... nadditive electrostatic model.
@ast
CHARMM fluctuating charge forc ...... nadditive electrostatic model.
@en
CHARMM fluctuating charge forc ...... nadditive electrostatic model.
@nl
type
label
CHARMM fluctuating charge forc ...... nadditive electrostatic model.
@ast
CHARMM fluctuating charge forc ...... nadditive electrostatic model.
@en
CHARMM fluctuating charge forc ...... nadditive electrostatic model.
@nl
prefLabel
CHARMM fluctuating charge forc ...... nadditive electrostatic model.
@ast
CHARMM fluctuating charge forc ...... nadditive electrostatic model.
@en
CHARMM fluctuating charge forc ...... nadditive electrostatic model.
@nl
P356
P1476
CHARMM fluctuating charge forc ...... onadditive electrostatic model
@en
P2093
Charles L Brooks
P304
P356
10.1002/JCC.20077
P577
2004-09-01T00:00:00Z