ES/IS: Estimation of conformational free energy by combining dynamics simulations with explicit solvent with an implicit solvent continuum model

Biophysical Chemistry

Volumn 78, Issue 1-2, 1999, Pages 195-205

  Vorobjev, Yury N ^a   Hermans, Jan ^a  

^a UNIVERSITY OF NORTH CAROLINA SCHOOL OF MEDICINE   (United States)

Author keywords

Conformational free energy; Continuum dielectric; Implicit solvation; Misfolded proteins; Molecular dynamics

Indexed keywords

CALCULATION; COMPUTER SIMULATION; CONFERENCE PAPER; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN STRUCTURE; QUANTUM MECHANICS; SOLVATION; TECHNIQUE; THEORY;

ALGORITHMS; COMPUTER SIMULATION; ENERGY TRANSFER; ENTROPY; MODELS, MOLECULAR; MONTE CARLO METHOD; PROTEIN CONFORMATION; PROTEIN FOLDING; PROTEINS; SOLVENTS;

EID: 0033003955     PISSN: 03014622     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0301-4622(98)00230-0     Document Type: Conference Paper

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