Microsecond scale replica exchange molecular dynamic simulation of villin headpiece: An insight into the folding landscape

Journal of Biomolecular Structure and Dynamics

Volumn 28, Issue 6, 2011, Pages 845-860

  Jani, Vinod ^a   Sonavane, Uddhavesh B ^a   Joshi, Rajendra ^a  

^a CENTRE FOR DEVELOPMENT OF ADVANCED COMPUTING   (India)

Author keywords

Amber United Atom model; Molecular dynamics simulations; PCA; Population landscape

Indexed keywords

VILLIN;

ARTICLE; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR MODEL; NUCLEAR MAGNETIC RESONANCE; PRIORITY JOURNAL; PROTEIN FOLDING; PROTEIN STRUCTURE; REPLICA EXCHANGE MOLECULAR DYNAMICS; SIMULATION; TIME; TRIPLE HELIX; X RAY CRYSTALLOGRAPHY;

EID: 79958850459     PISSN: 07391102     EISSN: 15380254     Source Type: Journal    
DOI: 10.1080/07391102.2011.10508612     Document Type: Article

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