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Discussion about vendor databases (e.g. new sources not in ZINC) and annotated catalogs of molecular bioactivity information.
7141 year 31 weeks 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. and
e.g. ChemAxon, OpenEye, Schrodinger, Molinspiration, Pipeline Pilot, KNIME, many others.