RosettaLigandEnsemble: A Small-Molecule Ensemble-Driven Docking Approach
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DOI: 10.1021/acsomega.7b02059
Abstract: RosettaLigand is a protein–small-molecule (ligand) docking software capable of predicting binding poses and is used for virtual screening of medium-sized ligand libraries. Structurally similar small molecules are generally found to bind in the same pose… read more here.
Keywords: molecule; molecule ensemble; small molecule; rosettaligandensemble small ... See more keywords