Receptor pharmacophore ensemble (REPHARMBLE): a probabilistic pharmacophore modeling approach using multiple protein-ligand complexes
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DOI: 10.1007/s00894-018-3820-7
Abstract: Ensemble methods are gaining more importance in structure-based approaches as single protein-ligand complexes strongly influence the outcomes of virtual screening. Structure-based pharmacophore modeling based on a single protein-ligand complex with complex feature combinations is often… read more here.
Keywords: ligand complexes; pharmacophore ensemble; ligand; protein ligand ... See more keywords