Computing free energies of protein conformations from explicit solvent simulations

Methods

Volumn 52, Issue 1, 2010, Pages 115-121

  Zhuravlev, Pavel I ^a   Wu, Sangwook ^a   Potoyan, Davit A ^a   Rubinstein, Michael ^a   Papoian, Garegin A ^a  

^a University of North Carolina at Chapel Hill   (United States)

Author keywords

Explicit solvent simulations; Native state ensemble; Path coordinate; Protein conformational free energy

Indexed keywords

SOLVENT;

ALLOSTERISM; ALPHA HELIX; ARTICLE; CALCULATION; CONFORMATIONAL TRANSITION; ENERGY; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN FOLDING; SIMULATION;

COMPUTER SIMULATION; ENTROPY; MODELS, MOLECULAR; PROTEIN CONFORMATION; PROTEIN UNFOLDING; SOLVENTS; THERMODYNAMICS;

EID: 77956206604     PISSN: 10462023     EISSN: 10959130     Source Type: Journal    
DOI: 10.1016/j.ymeth.2010.05.003     Document Type: Article

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