Molecular Modeling with Schrödinger Workshop, Munich, Germany

December 4, 2019

Schrödinger scientists will be leading hands-on workshops on December 4th in collaboration with Leibniz Supercomputing Centre (LRZ) in Garching, near Munich. The workshop will feature hands-on exercises and presentations to illustrate how the Schrödinger platform can be used in drug discovery programs. Participants will need to bring their laptops for the hands-on portions. For more information on the workshop, please click here

Registration
You can register by clicking here.

Agenda
December 4th

Drug Discovery with Schrödinger Solutions
featuring Schrödinger's Drs. Tatjana Braun, Tim Knehans

This workshop will be an illustration of how Schrödinger's modeling platform can be used in the context of present-day drug discovery programs. Using hands-on exercises and interactive presentations, we will guide you through an entire workflow with all steps ranging from target analysis and preparation over compound library enumeration to a virtual screening cascade involving shape-based and structure-based methods.

During the workshop, you will get introduced to the following Schrödinger tools and workflows:
• Target analysis and preparation: Protein Preparation Wizard, Sitemap, Watermap, and Molecular Dynamics using Desmond GPU
• Compound enumeration to generate a synthetically feasible library as the starting point for a virtual screening: Pathfinder, Reaction-based Enumeration, LigPrep
• Compound evaluation/Virtual screening using a combination of ligand- and structure-based approaches: Shape GPU, Glide, FEP+

Contact
If you have any questions, please contact Rita Podzuna at rita.podzuna@schrodinger.com.