Computational methodologies for the discovery of bioactive compounds
In this seminar we show how molecular modeling techniques contribute to the discovery of bioactive compounds, taking into account pros and cons of each concrete method. First, basics of the methods will be introduced, and then real world application scenarios will be shown (blood anticoagulants, cancer, Parkinson, Fabry, nutreceuticals, etc). For more details, you can visit our research group’s website: http://bio-hpc.eu