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Analysis of clinically relevant substrates of CYP2B6 enzyme by computational methods

✍ Scribed by Rui-Juan Niu; Qing-Chuan Zheng; Ji-Long Zhang; Hong-Xing Zhang


Book ID
106240503
Publisher
Springer-Verlag
Year
2011
Tongue
English
Weight
408 KB
Volume
17
Category
Article
ISSN
1610-2940

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✍ Stephen P. Greatbanks; Jill E. Gready; Ajay C. Limaye; Alistair P. Rendell πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 712 KB

We have investigated the importance of polarization by the enzyme dihydrofolate reductase (DHFR) on its substrates, folate and dihydrofolate, using a series of quantum mechanical (QM) techniques (Hartree-Fock (HF), MΓΈller-Plesset second-order perturbation theory (MP2), local density approximation (L