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