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Fragment dissolved molecular dynamics


An efficient method to locate binding sites : Fragment Dissolved Molecular Dynamics (fdMD)

You can check more information at https://pubs.rsc.org/en/content/articlelanding/2021/CP/D0CP05471B#!divAbstract

You can download the software from here

Authors: Jaime Rubio, Cristian Privat, José M. Granadino-Roldán, Jordi Bonet, Maria Santos Tomas, Juan J. Perez