Polarizable empirical force field for hexopyranose monosaccharides based on the classical Drude oscillator.
about
Recent Advances in Polarizable Force Fields for Macromolecules: Microsecond Simulations of Proteins Using the Classical Drude Oscillator ModelInvestigation of Carbohydrate Recognition via Computer SimulationAn Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent ApplicationsMetal Ion Modeling Using Classical MechanicsCHARMM additive and polarizable force fields for biophysics and computer-aided drug designCHARMM Drude Polarizable Force Field for Aldopentofuranoses and Methyl-aldopentofuranosides.Analyzing ion distributions around DNA: sequence-dependence of potassium ion distributions from microsecond molecular dynamics.Drude Polarizable Force Field for Molecular Dynamics Simulations of Saturated and Unsaturated Zwitterionic LipidsDrude polarizable force field for aliphatic ketones and aldehydes, and their associated acyclic carbohydrates.Rigidity and flexibility in the tetrasaccharide linker of proteoglycans from atomic-resolution molecular simulation.Delineating the conformational flexibility of trisaccharides from NMR spectroscopy experiments and computer simulations.Robustness in the fitting of molecular mechanics parameters.Enhanced conformational sampling using replica exchange with concurrent solute scaling and hamiltonian biasing realized in one dimension.Balancing the interactions of ions, water, and DNA in the Drude polarizable force field.Conformational Heterogeneity of the HIV Envelope Glycan Shield.Implementation of extended Lagrangian dynamics in GROMACS for polarizable simulations using the classical Drude oscillator model.Proper balance of solvent-solute and solute-solute interactions in the treatment of the diffusion of glucose using the Drude polarizable force field.CHARMM Drude Polarizable Force Field for Glycosidic Linkages Involving Pyranoses and Furanoses.Effects of varying the 6-position oxidation state of hexopyranoses: a systematic comparative computational analysis of 48 monosaccharide stereoisomers.
P2860
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P2860
Polarizable empirical force field for hexopyranose monosaccharides based on the classical Drude oscillator.
description
2014 nî lūn-bûn
@nan
2014 թուականի Փետրուարին հրատարակուած գիտական յօդուած
@hyw
2014 թվականի փետրվարին հրատարակված գիտական հոդված
@hy
2014年の論文
@ja
2014年論文
@yue
2014年論文
@zh-hant
2014年論文
@zh-hk
2014年論文
@zh-mo
2014年論文
@zh-tw
2014年论文
@wuu
name
Polarizable empirical force fi ...... he classical Drude oscillator.
@ast
Polarizable empirical force fi ...... he classical Drude oscillator.
@en
Polarizable empirical force fi ...... he classical Drude oscillator.
@nl
type
label
Polarizable empirical force fi ...... he classical Drude oscillator.
@ast
Polarizable empirical force fi ...... he classical Drude oscillator.
@en
Polarizable empirical force fi ...... he classical Drude oscillator.
@nl
prefLabel
Polarizable empirical force fi ...... he classical Drude oscillator.
@ast
Polarizable empirical force fi ...... he classical Drude oscillator.
@en
Polarizable empirical force fi ...... he classical Drude oscillator.
@nl
P2860
P356
P1476
Polarizable empirical force fi ...... he classical Drude oscillator.
@en
P2093
Dhilon S Patel
P2860
P304
P356
10.1021/JP412696M
P407
P577
2014-02-24T00:00:00Z