Consistent Prediction of Mutation Effect on Drug Binding in HIV-1 Protease Using Alchemical Calculations
2018 | journal article
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Consistent Prediction of Mutation Effect on Drug Binding in HIV-1 Protease Using Alchemical Calculations
Bastys, T.; Gapsys, V. ; Doncheva, N. T.; Kaiser, R.; de Groot, B. L. & Kalinina, O. V. (2018)
Journal of Chemical Theory and Computation, 14(7) pp. 3397-3408. DOI: https://doi.org/10.1021/acs.jctc.7b01109