Calculation of the entropy and free energy of peptides by molecular dynamics simulations using the hypothetical scanning molecular dynamics method

Journal of Chemical Physics

Volumn 125, Issue 2, 2006, Pages

  Cheluvaraja, Srinath ^a   Meirovitch, Hagai ^a  

^a UNIVERSITY OF PITTSBURGH SCHOOL OF MEDICINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ENTROPY; FREE ENERGY; MOLECULAR DYNAMICS; MONTE CARLO METHODS; PROBABILITY;

MOLECULAR DYNAMICS SIMULATIONS; SCANNING MOLECULAR DYNAMICS; SYSTEM INTERACTIONS; TRANSITION PROBABILITIES (TP);

AMINO ACIDS;

GLYCINE; LIGAND; PEPTIDE; POLYMER; PROTEIN; VALINE; WATER;

ARTICLE; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; ENTROPY; METHODOLOGY; PHYSICAL CHEMISTRY; PROBABILITY; STATISTICAL MODEL; THEORETICAL MODEL; THERMODYNAMICS;

CHEMISTRY, PHYSICAL; COMPUTER SIMULATION; ENTROPY; GLYCINE; LIGANDS; MODELS, STATISTICAL; MODELS, THEORETICAL; MOLECULAR CONFORMATION; PEPTIDES; POLYMERS; PROBABILITY; PROTEINS; THERMODYNAMICS; VALINE; WATER;

EID: 33746099689     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2208608     Document Type: Article

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