PH-Replica exchange molecular dynamics in proteins using a discrete protonation method

Journal of Physical Chemistry B

Volumn 116, Issue 30, 2012, Pages 8805-8811

  Dashti, Danial Sabri ^a   Meng, Yilin ^a   Roitberg, Adrian E ^b  

^a UNIVERSITY OF CHICAGO   (United States)

^b UNIVERSITY OF FLORIDA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONS; PROTONATION;

BIOLOGICAL MOLECULE; CONSTANT PH MOLECULAR DYNAMICS; ENHANCED SAMPLINGS; EXPERIMENTAL VALUES; FASTER CONVERGENCE; PROTONATION EQUILIBRIA; REPLICA EXCHANGE; REPLICA EXCHANGE MOLECULAR DYNAMICS;

MOLECULAR DYNAMICS;

EID: 84864742236     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp303385x     Document Type: Article

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