33rd Medicinal Chemistry in Eastern England
28 April, 2022
| Hatfield, UK
Events
A 2-day computational chemistry course focused on the life and chemical sciences.
Relative free energy calculations are being increasingly used in drug discovery due to the combination of improved algorithms, faster hardware and better usability. Learn an innovative method for automatically determining optimal λ schedules for a given transformation.
Mark Mackey, Cresset CSO, will present 'Automated determination of optimal λ schedules for free energy calculations' on March 20th at 5pm via Zoom Room 6 (virtual room)
At 2pm we will present 'Prioritization of drug candidate compounds by Flare™ FEP'