Generative Topographic Mapping of the Docking Conformational Space
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DOI: 10.3390/molecules24122269
Abstract: Following previous efforts to render the Conformational Space (CS) of flexible compounds by Generative Topographic Mapping (GTM), this polyvalent mapping technique is here adapted to the docking problem. Contact fingerprints (CF) characterize ligands from the… read more here.
Keywords: space; docking conformational; topographic mapping; mapping docking ... See more keywords