A workflow for exploring ligand dissociation from a macromolecule: efficient random acceleration molecular dynamics simulation and interaction fingerprint analysis of ligand trajectories - Kokh, Daria B.; Doser, Bernd; Richter, Stefan; Ormersbach, Fabian; Cheng, Xingyi; Wade, Rebecca C. (The journal of chemical physics, 2020)
Gesehen am 05.11.2020