Binding-affinity predictions of HSP90 in the D3R Grand Challenge 2015 with docking, MM/GBSA, QM/MM, and free-energy simulations. - Majda Misini Ignjatovic; Octav Caldararu; Geng Dong; Camila Muñoz-Gutiérrez; Francisco Adasme-Carreño; Ulf Ryde (J. Comput. Aided Mol. Des., 2016)