A method for evaluating multicanonical potential function without iterative refinement: Application to conformational sampling of a globular protein in water

Journal of Chemical Physics

Volumn 118, Issue 9, 2003, Pages 4306-4311

  Terada, Tohru ^a,b   Matsuo, Yo ^a,b   Kidera, Akinori ^b  

^a RIKEN YOKOHAMA INSTITUTE   (Japan)

^b YOKOHAMA CITY UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; CONFORMATIONS; CRYSTAL STRUCTURE; ITERATIVE METHODS; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PERMITTIVITY; POTENTIAL ENERGY; TEMPERATURE; WATER;

CHYMOTRYPSIN INHIBITOR; CONFORMATIONAL DISTRIBUTION; ITERATIVE REFINEMENT; MULTICANONICAL MOLECULAR DYNAMICS;

PROTEINS;

EID: 0037338189     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1541613     Document Type: Article

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