Molecular dynamics simulations of DNA dimers based on replica-exchange umbrella sampling. I. Test of sampling efficiency

Journal of Theoretical and Computational Chemistry

Volumn 4, Issue 2, 2005, Pages 411-432

  Murata, Katsumi ^a   Sugita, Yuji ^b   Okamoto, Yuko ^a,c,d  

^a GRADUATE UNIVERSITY FOR ADVANCED STUDIES   (Japan)

^b UNIVERSITY OF TOKYO   (Japan)

^c INSTITUTE FOR MOLECULAR SCIENCE   (Japan)

^d NAGOYA UNIVERSITY   (Japan)

Author keywords

Base stacking; DNA dimer; Generalized ensemble algorithm; Reaction coordinate; Replica exchange umbrella sampling

Indexed keywords

ADENINE; DNA; THYMINE;

ARTICLE; CALCULATION; DNA STRUCTURE; GLYCOSIDATION; MATHEMATICAL ANALYSIS; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; SAMPLING; TORSION;

EID: 21444444769     PISSN: 02196336     EISSN: None     Source Type: Journal    
DOI: 10.1142/S0219633605001611     Document Type: Article

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