Lunch and Learn: Free Energy Simulations, San Diego, CA

January 29, 2019

Please join Dr. Jen Knight and Schrödinger application scientists at the San Diego office on Tuesday, January 29th from 11:00 AM-1:00 PM to discuss best practices for setting up free energy simulations and investigating outliers. New FEP+ features will also be highlighted, including the ability to profile covalent inhibitors, macrocycles, and charge perturbations and the use of GCMC simulations. The event will be followed by an informal office hour and lunch with Dr. Knight and Schrödinger applications scientists.

After the event and office hours, an optional 1-hr hands-on session will cover how to use Schrödinger tools to set up, run and analyze results from FEP+ simulations, led by education specialist Dr. Jamie Schiffer.