Seminar

Computational Medicinal Chemistry in Drug Discovery Process: Overview and Case Studies

Dr. Julen Oyarzábal

This presentation will be mainly focused on Computational Medicinal Chemistry describing its role and impact in small molecule drug discovery. Depending on project phase, planned strategies and information availability different approaches are considered: structure-based and/or ligand-based using 2D & 3D virtual screening techniques such as pharmacophore, docking, QSAR, similarity, etc.