Binding-affinity predictions of HSP90 in the D3R Grand Challenge 2015 with docking, MM/GBSA, QM/MM, and free-energy simulations.
Majda Misini IgnjatovicOctav CaldararuGeng DongCamila Muñoz-GutiérrezFrancisco Adasme-CarreñoUlf RydePublished in: J. Comput. Aided Mol. Des. (2016)