Replica exchange with solute tempering: A method for sampling biological systems in explicit water

Proceedings of the National Academy of Sciences of the United States of America

Volumn 102, Issue 39, 2005, Pages 13749-13754

  Liu, Pu ^a   Kim, Byungchan ^a   Friesner, Richard A ^a   Berne, B J ^a  

^a Och Spine at New York Presbyterian Hospitals   (United States)

Author keywords

Molecular dynamics; Monte Carlo; Parallel tempering; Protein solutions; Rough energy landscapes

Indexed keywords

ALANINE; WATER;

AB INITIO CALCULATION; ANALYTIC METHOD; ARTICLE; ENERGY TRANSFER; MOLECULAR DYNAMICS; MONTE CARLO METHOD; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN FOLDING; REPLICA EXCHANGE WITH SOLUTE TEMPERING; SOLUTE; THERMODYNAMICS;

EID: 25444481354     PISSN: 00278424     EISSN: None     Source Type: Journal    
DOI: 10.1073/pnas.0506346102     Document Type: Article

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