Schrödinger Applications Scientist Jas Bhachoo will be hosting a workshop entitled "Computational Drug Discovery – Exploring Various Approaches for Novel Hit Identification" at the University of Oslo, Norway on Tuesday, September 6 in the Department of Chemistry (Kjemibygget), PC room BL23 Ø186.

This workshop has been organized in collaboration with Dr. Maria Francesca Iozzi at USIT, University of Oslo (UiO), Dr. Jon K Laerdahl, Bioinformatics Core Facility, UiO and Rikshospitalet, Oslo University Hospital (OUH), and Dr. Bjørn Dalhus, Oslo University Hospital/Rikshospitalet.

Agenda

 09:30     Welcome and introduction
 09:45     Target structure prediction, refinement and characterization
                Small molecule preparation with conformational searching
                Virtual screening: Docking
 12:15     Lunch
 13:15     Post-docking analysis with clustering, SIFts, and extra-precision algorithms
                Virtual screening: Structure-based pharmacophore screening and shape-based  
                screening
                Data reduction and filtering using 2D approaches
 15:45     Summary and discussion
 16:00     Close

Registration & Preparation

To register for this workshop, please contact Annette Höglund at annette.hoeglund@schrodinger.com. We strongly encourage all participants to download Maestro prior to the workshop. During the workshop, participants will have access to locally available Windows PCs. Participants are also welcome to bring their own laptops.