Hybrid quantum and classical simulations of the dihydrofolate reductase catalyzed hydride transfer reaction on an accurate semi-empirical potential energy surface

Journal of Chemical Theory and Computation

Volumn 7, Issue 10, 2011, Pages 3420-3437

  Doron, Dvir ^a   Major, Dan Thomas ^a   Kohen, Amnon ^b   Thiel, Walter ^c   Wu, Xin ^c  

^a BAR ILAN UNIVERSITY   (Israel)

^b University of Iowa   (United States)

^c MAX PLANCK INSTITUT FÜR KOHLENFORSCHUNG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 80054006088     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct2004808     Document Type: Article

References (110)

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