BioinformaticsJournal of Chemical Information and ModelingPeer-reviewed
multiSMD - a Python toolset for multidirectional Steered Molecular Dynamics
Katarzyna Walczewska-Szewc, Beata Niklas, Kamil Szewc, Wiesław Nowak
multiSMD automates multi-directional SMD simulations to study direction-dependent molecular interactions, revealing anisotropic responses in biomolecular systems.