The Molecular Mechanics Poisson-Boltzmann Surface Area (MMPBSA) approach has been widely applied as an efficient and reliable free energy simulation method to model molecular recognition, such as for ...

First Department of Pathology, St. Anne’s University Hospital, Brno 602 00, Czech Republic First Department of Pathology, Faculty of Medicine, Masaryk University, Brno 625 00, Czech Republic ...

Institute of Chemical Research of Catalonia (ICIQ), The Barcelona Institute of Science and Technology (BIST), Avgda. Països Catalans, 16, 43007 Tarragona, Spain ...