A replica-exchange approach to computing peptide conformational free energies

Molecular Simulation

Volumn 36, Issue 7-8, 2010, Pages 505-515

  Shell, M Scott ^a  

^a University of California   (United States)

Author keywords

conformations; free energies; peptides; replica exchange

Indexed keywords

CONFORMATIONAL FREE ENERGY; CONFORMATIONAL SPACE; CONFORMATIONAL STATE; ENTROPIC CONTRIBUTIONS; FIELD POTENTIAL; HIGHEST TEMPERATURE; NON EQUILIBRIUM; REFERENCE STATE; RELATIVE FREE ENERGY; REPLICA EXCHANGE; SCORING FUNCTIONS; STRUCTURAL STABILITIES; STRUCTURE PREDICTION; UNFOLDING TEMPERATURE; WEIGHTED HISTOGRAM;

CONFORMATIONS; MOLECULAR DYNAMICS; PEPTIDES; POTENTIAL ENERGY; STABILITY;

FREE ENERGY;

EID: 77955450184     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927021003720546     Document Type: Article

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