Accelerating atomic-level protein simulations by flat-histogram techniques

Journal of Chemical Physics

Volumn 135, Issue 12, 2011, Pages

  Jónsson, Sigurur A ^a   Mohanty, Sandipan ^b   Irbäck, Anders ^a  

^a LUND UNIVERSITY   (Sweden)

^b FORSCHUNGSZENTRUM JÜLICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ENZYMES; FREE ENERGY; GRAPHIC METHODS; OXYGEN; PROTEINS;

BARRIER CROSSING; CANONICAL SIMULATIONS; CU/ZN-SUPEROXIDE DISMUTASE; FLAT HISTOGRAMS; IMPLICIT SOLVENTS; PEPTIDE AGGREGATION; PROTEIN SIMULATIONS; TWO-STEP PROCEDURE;

MONTE CARLO METHODS;

COPPER ZINC SUPEROXIDE DISMUTASE; SUPEROXIDE DISMUTASE;

ARTICLE; CHEMISTRY; METABOLISM; MOLECULAR DYNAMICS; MONTE CARLO METHOD;

MOLECULAR DYNAMICS SIMULATION; MONTE CARLO METHOD; SUPEROXIDE DISMUTASE;

EID: 80053501774     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3643328     Document Type: Article

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