Computational Methods for the Study of Enzymic Reaction Mechanisms. 1. Application to the Hydride Transfer Step in the Catalysis of Dihydrofolate Reductase

We report results and assessment from the use of several “state-of-the-art” computational methods to investigate the effect of the Asp27 ionization state on the hydride-ion transfer step in the enzymic reduction of folate and dihydrofolate (DHF) by DHFR from Escherichia coli (E. coli). The active fo...

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Veröffentlicht in:	The journal of physical chemistry. B 2002-09, Vol.106 (38), p.9934-9944
Hauptverfasser:	Cummins, Peter L, Greatbanks, Stephen P, Rendell, Alistair P, Gready, Jill E
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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