Multiscale simulation of small peptides: Consistent conformational sampling in atomistic and coarse-grained models

Journal of Computational Chemistry

Volumn 33, Issue 9, 2012, Pages 937-949

  Bezkorovaynaya, Olga ^a   Lukyanov, Alexander ^a   Kremer, Kurt ^a   Peter, Christine ^a  

^a MAX PLANCK INSTITUTE FOR POLYMER RESEARCH   (Germany)

Author keywords

backmapping; coarse graining; molecular dynamics simulation; multiscale models; oligoalanine; peptides

Indexed keywords

BACKMAPPING; COARSE GRAINING; MOLECULAR DYNAMICS SIMULATIONS; MULTISCALE MODELS; OLIGOALANINE;

COMPUTER SIMULATION; CONFORMATIONS; MOLECULAR DYNAMICS; PEPTIDES;

IMPORTANCE SAMPLING;

ALANINE; OLIGOPEPTIDE; WATER;

ARTICLE; CHEMISTRY; CONFORMATION; MOLECULAR DYNAMICS;

ALANINE; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; OLIGOPEPTIDES; WATER;

EID: 84857447250     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.22915     Document Type: Article

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