Binding free energies for nicotine analogs inhibiting...

Bioorganic & Medicinal Chemistry 2014 / 04 Vol. 22; Iss. 7

Binding free energies for nicotine analogs inhibiting cytochrome P450 2A6 by a combined use of molecular dynamics simulations and QM/MM-PBSA calculations

Lu, Haiting, Huang, Xiaoqin, AbdulHameed, Mohamed Diwan M., Zhan, Chang-Guo
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Volume:
22
Language:
english
Journal:
Bioorganic & Medicinal Chemistry
DOI:
10.1016/j.bmc.2014.02.037
Date:
April, 2014
File:
PDF, 1.82 MB
english, 2014
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