Biomolecular free energy profiles by a shooting/umbrella sampling protocol, "BOLAS"

Journal of Chemical Physics

Volumn 121, Issue 5, 2004, Pages 2436-2444

  Radhakrishnan, Ravi ^a   Schlick, Tamar ^a  

^a NEW YORK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONAL TRANSITIONS; EQUILIBRIUM DISTRIBUTION; SHOOTING ALGORITHMS; UMBRELLA SAMPLING;

ALGORITHMS; COMPUTER SIMULATION; CONFORMATIONS; ENZYMES; HEAVY IONS; MOLECULAR DYNAMICS; MONTE CARLO METHODS; NUCLEIC ACIDS; PARAMETER ESTIMATION; PHASE EQUILIBRIA; PHASE TRANSITIONS; SAMPLING; TORSIONAL STRESS;

FREE ENERGY;

CARBOHYDRATE; DEOXYADENOSINE DERIVATIVE;

ALGORITHM; ARTICLE; BIOPHYSICS; CHEMISTRY; COMPUTER PROGRAM; METHODOLOGY; MONTE CARLO METHOD; PHYSICAL CHEMISTRY; STATISTICAL MODEL; THEORETICAL MODEL; THERMODYNAMICS;

ALGORITHMS; BIOPHYSICS; CARBOHYDRATES; CHEMISTRY, PHYSICAL; DEOXYADENOSINES; MODELS, STATISTICAL; MODELS, THEORETICAL; MONTE CARLO METHOD; SOFTWARE; THERMODYNAMICS;

EID: 4143085014     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1766014     Document Type: Article

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