Wang, M., Mei, Y., and Ryde, U. Predicting relative binding affinity using nonequilibrium QM/MM simulations. J. Chem. Theory Comput. 14, 6613-6622 (2018)
Wang, M., Mei, Y., and Ryde, U. Predicting relative binding affinity using nonequilibrium QM/MM simulations. J. Chem. Theory Comput. 14, 6613-6622 (2018)