Implementations of Nosé-Hoover and Nosé-Poincaré thermostats in mesoscopic dynamic simulations with the united-residue model of a polypeptide chain
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Investigation of protein folding by coarse-grained molecular dynamics with the UNRES force fieldCoarse-grained force field: general folding theory.Simulation of the opening and closing of Hsp70 chaperones by coarse-grained molecular dynamicsProbing the intermolecular interactions of PPARγ-LBD with polyunsaturated fatty acids and their anti-inflammatory metabolites to infer most potential binding moieties.Exploration of the binding of DNA binding ligands to Staphylococcal DNA through QM/MM docking and molecular dynamics simulation.Diffusion and viscosity of liquid tin: Green-Kubo relationship-based calculations from molecular dynamics simulations.Markov state modeling and dynamical coarse-graining via discrete relaxation path sampling.Introduction of steered molecular dynamics into UNRES coarse-grained simulations package.Extension of coarse-grained UNRES force field to treat carbon nanotubes.Analysis of depolarization ratios of ClNO(2) dissolved in methanol
P2860
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P2860
Implementations of Nosé-Hoover and Nosé-Poincaré thermostats in mesoscopic dynamic simulations with the united-residue model of a polypeptide chain
description
2008 nî lūn-bûn
@nan
2008年の論文
@ja
2008年論文
@yue
2008年論文
@zh-hant
2008年論文
@zh-hk
2008年論文
@zh-mo
2008年論文
@zh-tw
2008年论文
@wuu
2008年论文
@zh
2008年论文
@zh-cn
name
Implementations of Nosé-Hoover ...... e model of a polypeptide chain
@en
type
label
Implementations of Nosé-Hoover ...... e model of a polypeptide chain
@en
prefLabel
Implementations of Nosé-Hoover ...... e model of a polypeptide chain
@en
P2860
P356
P1476
Implementations of Nosé-Hoover ...... e model of a polypeptide chain
@en
P2093
Cezary Czaplewski
Dana S Kleinerman
P2860
P304
P356
10.1063/1.2943146
P407
P577
2008-06-01T00:00:00Z