Rotamer decomposition and protein dynamics: Efficiently analyzing dihedral populations from molecular dynamics

Journal of Computational Chemistry

Volumn 34, Issue 3, 2013, Pages 198-205

  Watanabe, Hiroshi ^a   Elstner, Marcus ^a   Steinbrecher, Thomas ^a  

^a KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ADVANCED ANALYSIS; AMINO ACID RESIDUES; CLASSIFICATION SCHEME; CONFORMATIONAL SUBSTATES; GAUSSIANS; LARGE AMOUNTS OF DATA; MD SIMULATION; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR MECHANICS METHOD; PEPTIDE BACKBONES; PROTEIN DYNAMICS; PROTEIN FLEXIBILITY; PROTEIN LYSOZYME; PROTEIN STRUCTURES; ROTAMERS; ROTATIONAL STATE; SIDE-CHAINS;

AMINO ACIDS; DIHEDRAL ANGLE; MOLECULAR DYNAMICS;

PROTEINS;

LYSOZYME;

ARTICLE; BACTERIOPHAGE T4; CHEMISTRY; ENZYMOLOGY; MOLECULAR DYNAMICS; PROTEIN CONFORMATION;

BACTERIOPHAGE T4; MOLECULAR DYNAMICS SIMULATION; MURAMIDASE; PROTEIN CONFORMATION;

EID: 84872279114     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.23119     Document Type: Article

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