Please register here to attend the event virtually. The presentation “Non-Equilibrium Switching in Orion” will happen at the following times:
10 a.m. – U.S. Pacific Daylight Time
1 p.m. – U.S. Eastern Daylight Time
6 p.m. – British Summer Time
7 p.m. – Central European Summer Time
Non-Equilibrium Switching in Orion
Non-Equilibrium Switching (NES) is a highly parallelizable method for Relative Binding Free Energy (RBFE) calculations. It works seamlessly in OpenEye Scientific's Orion® molecular design platform, taking advantage of Orion's scheduling, scaling, and fault tolerance features to provide results in just a few hours. Its accuracy is comparable to other RBFE methods in the community, and it is integrated with our other tools for small molecule discovery.