International Journal of Biological Macromolecules · 2023 · 21 citations · 63 references
Life SciencesMedicinal ChemistryMolecular BiologyProtein-protein InteractionsStructural BiologyLigand BindingCompetitive Binding InteractionsMacromolecular Complex FormationNon-covalent Interactions
63
GROMACS: Fast, flexible, and free
David van der Spoel, Erik Lindahl, Berk Hess et al. · Journal of Computational Chemistry · 2005 · 19.1K citations
Natural Sciences, Chemistry, Physics +17
Computational protein–ligand docking and virtual drug screening with the AutoDock suite
Stefano Forli, Ruth Huey, Michael E. Pique et al. · Nature Protocols · 2016 · 2.7K citations · Full text