Reconstruction of the src-SH3 protein domain transition state ensemble using multiscale molecular dynamics simulations

Journal of Molecular Biology

Volumn 350, Issue 5, 2005, Pages 1035-1050

  Ding, Feng ^a   Guo, Weihua ^b   Dokholyan, Nikolay V ^a   Shakhnovich, Eugene I ^c   Shea, Joan Emma ^b  

^a UNIVERSITY OF NORTH CAROLINA SCHOOL OF MEDICINE   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c HARVARD UNIVERSITY   (United States)

Author keywords

Folding nucleus; Molecular dynamics simulations; Protein folding; src SH3 protein domain; Transition state ensemble

Indexed keywords

PROTEIN; SRC SH3 PROTEIN; UNCLASSIFIED DRUG;

ARTICLE; BETA SHEET; COMPUTER SIMULATION; MATHEMATICAL MODEL; MOLECULAR DYNAMICS; PHASE TRANSITION; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN DOMAIN; PROTEIN FOLDING; PROTEIN STRUCTURE; SOLVATION;

EID: 21744452297     PISSN: 00222836     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmb.2005.05.017     Document Type: Article

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