Thu, 26 Oct 2017, 14:00 CEST (Berlin)

Dr. Christian Lemmen, BioSolveIT GmbH, St. Augustin, Germany

From 1016 opportunities to ΔG-visualization in the binding site

Taking “the best of both worlds” is usually desirable but rarely achieveable in real life. In drug discovery it is worse: many solutions — so many choices — but no one software can handle all challenges equally well.
Workflow systems like KNIME® offer you a single interface to a myriad of tools and help you to organize, standardize, and streamline your approach and be best prepared all along the way from 1016 opportunities to visualizing atom-based ΔG-contributions in the binding site. We will show you a number of highly efficient strategies implemented this way. Plus you’ll get those as a blue print for your own solution.

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