Mechanism of a proton pump analyzed with computer simulations

Theoretical Chemistry Accounts

Volumn 125, Issue 3-6, 2010, Pages 353-363

  Bondar, Ana Nicoleta ^a   Smith, Jeremy C ^b,c   Elstner, Marcus ^d  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b OAK RIDGE NATIONAL LABORATORY   (United States)

^c UNIVERSITY OF TENNESSEE   (United States)

^d TECHNICAL UNIVERSITY OF BRAUNSCHWEIG   (Germany)

Author keywords

Bacteriorhodopsin; Opsin shift; Proton transfer; QM MM; Reaction path; Water molecules

Indexed keywords

EID: 77949263090     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-009-0565-5     Document Type: Article

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