'J chem inf model' diaporamas de présentation

7. Molecular Docking and Drug Discovery

7. Molecular Docking and Drug Discovery. R. M. ChemDB RChemDB. Filters. Experiments. NM. The Docking Problem. Given : receptor binding pocket and ligand. Task : quickly find correct binding pose. Two critical modules: Search Algorithm Scoring Function. Definitions.

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Chemoinformatics in Molecular Docking and Drug Discovery

Chemoinformatics in Molecular Docking and Drug Discovery. The Docking Problem. Given : receptor binding pocket and ligand. Task : quickly find correct binding pose. Two critical modules: Search Algorithm Scoring Function. Definitions. pKd = measures tightness of binding

623 views • 31 slides

230 views • 8 slides