Pseudobond ab initio QM/MM approach and its applications to enzyme reactions

Theoretical Chemistry Accounts

Volumn 116, Issue 1-3, 2006, Pages 43-50

  Zhang, Yingkai ^a  

^a NEW YORK UNIVERSITY   (United States)

Author keywords

Ab initio QM MM methods; Density function theory (DFT); Enzyme reaction; Free energy; QM MM interactions; Transition state

Indexed keywords

EID: 33748263629     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-005-0008-x     Document Type: Article

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