Evaluating the effects of cutoffs and treatment of long-range electrostatics in protein folding simulations

PLoS ONE

Volumn 7, Issue 6, 2012, Pages

  Piana, Stefano ^a   Lindorff Larsen, Kresten ^a   Dirks, Robert M ^a   Salmon, John K ^a   Dror, Ron O ^a   Shaw, David E ^a,b  

^a D E SHAW RESEARCH   (United States)

^b Och Spine at New York Presbyterian Hospitals   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANALYTIC METHOD; ANALYTICAL PARAMETERS; ARTICLE; CUTOFF; ENERGY; EWALD METHOD; FORCE; MATHEMATICAL COMPUTING; MOLECULAR INTERACTION; PROTEIN ANALYSIS; PROTEIN FOLDING; PROTEIN UNFOLDING; SIMULATION; STATIC ELECTRICITY; STRUCTURE ANALYSIS;

COMPUTER SIMULATION; MICROFILAMENT PROTEINS; PROTEIN FOLDING; PROTEIN STRUCTURE, SECONDARY; STATIC ELECTRICITY; THERMODYNAMICS;

EID: 84863083844     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0039918     Document Type: Article

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