Sampling large conformational transitions: Adenylate kinase as a testing ground

Molecular Simulation

Volumn 40, Issue 10-11, 2014, Pages 855-877

  Seyler, Sean L ^a   Beckstein, Oliver ^a  

^a ARIZONA STATE UNIVERSITY   (United States)

Author keywords

adenylate kinase; free energy; molecular dynamics simulations; potential of mean force; rare events; sampling; transition path

Indexed keywords

COMPUTER SIMULATION; FREE ENERGY; MOLECULAR DYNAMICS; PROTEINS; SAMPLING; TIME MEASUREMENT;

ADENYLATE KINASE; MOLECULAR DYNAMICS SIMULATIONS; POTENTIAL OF MEAN FORCE; RARE EVENTS; TRANSITION PATHS;

ENZYMES;

EID: 84905822293     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927022.2014.919497     Document Type: Article

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