Peptide backbone sampling convergence with the adaptive biasing force algorithm

Journal of Physical Chemistry B

Volumn 117, Issue 2, 2013, Pages 518-526

  Faller, Christina E ^a   Reilly, Kyle A ^a   Hills, Ronald D ^a   Guvench, Olgun ^a  

^a UNIVERSITY OF NEW ENGLAND   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; BOLTZMANN EQUATION; MOLECULAR DYNAMICS; PEPTIDES;

ABF METHOD; ADAPTIVE BIASING; AVERAGE FORCE; BIOMOLECULAR SYSTEM; BOLTZMANN; BOLTZMANN DISTRIBUTION; COMPLETE CONVERGENCE; CONTROL MOLECULAR DYNAMICS; DI-PEPTIDES; DIPEPTIDE; MOLECULAR DYNAMICS SIMULATIONS; NUMBER OF METHODS; PEPTIDE BACKBONES; PEPTIDE BONDS; POTENTIAL OF MEAN FORCE; RAPID CONVERGENCE; REACTION COORDINATES;

AMINO ACIDS;

EID: 84872540435     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp309741j     Document Type: Article

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