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Discussion about vendor databases (e.g. new sources not in ZINC) and annotated catalogs of molecular bioactivity information.
7141 year 1 day ago
by damjanmk
Forum for the discussion of both ground state and high energy intermediates (HEI) in docking for the purpose of protein function prediction. Topic includes: half reactions, covalent docking, metalloenzymes, predictions, collaborations, strategies and methods. http://hei.docking.org and http://blaster.docking.org
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e.g. ChemAxon, OpenEye, Schrodinger, Molinspiration, Pipeline Pilot, KNIME, many others.
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