Free Energy Perturbation (FEP): Another technique in the drug discovery toolbox
Introduction When I first started using CHARMM over 20 years ago as a PhD student, I regularly came across references ...
When researchers find their promising lead series facing IP issues, they are faced with a tough decision. Do they change series—possibly to a candidate that doesn’t show the same level of activity against the target—or do they spend a great deal of time and money screening the totality of the corporate database for a new prospect? In this situation, scaffold hopping and virtual screening are effective and efficient ways to identify a new series to move the project forward.
Read the full article by Martin Slater and Katriona Scoffin in Drug Discovery and Development Magazine.