Effective tailor-made force field parameterization of the several Zn coordination environments in the puzzling FTase enzyme: Opening the door to the full understanding of its elusive catalytic mechanism

Theoretical Chemistry Accounts

Volumn 117, Issue 1, 2007, Pages 171-181

  Sousa, Sérgio Filipe ^a   Fernandes, Pedro Alexandrino ^a   Ramos, Maria João ^a  

^a UNIVERSITY OF PORTO   (Portugal)

Author keywords

Amber; Farnesyltransferase; Force field; Molecular mechanics; Zinc enzymes

Indexed keywords

EID: 33751235864     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-006-0170-9     Document Type: Article

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