Adaptive accelerated molecular dynamics (Ad-AMD) revealing the molecular plasticity of P450cam

Journal of Physical Chemistry Letters

Volumn 2, Issue 3, 2011, Pages 158-164

  Markwick, Phineus R L ^a,c   Pierce, Levi C T ^a   Goodin, David B ^b   McCammon, J Andrew ^a,c  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b SCRIPPS RESEARCH INSTITUTE   (United States)

^c HOWARD HUGHES MEDICAL INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACCELERATED MOLECULAR DYNAMICS; BINDING POCKETS; CONFORMATIONAL BEHAVIOR; CONFORMATIONAL SPACE; CONFORMATIONAL STATE; CONFORMATIONAL TRANSITIONS; EXPERIMENTAL STUDIES; INDUCED-FIT MECHANISM; MOLECULAR PLASTICITY; OPEN CONFORMATION; SHIFT MECHANISM; SUBSTRATE BINDING; SUBSTRATE-BOUND; SUBSTRATE-FREE;

BINDING ENERGY; LIGANDS; MOLECULAR DYNAMICS; QUANTUM CHEMISTRY;

DYNAMICS;

EID: 79952936165     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz101462n     Document Type: Article

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