(124i) Crystal Structure Prediction in Lead Optimization Phase of Drug Discovery | AIChE

(124i) Crystal Structure Prediction in Lead Optimization Phase of Drug Discovery

Authors 

Broo, A. - Presenter, AstraZeneca
Crystal structure predictions (CSP) has become a very valuable tool to explore crystal interactions in early discovery phase. At AstraZeneca we have developed a fast and accurate protocol that allows for applying CSP already in the lead optimization phase. The protocol will be described and compared to the most accurate protocols published. A few case studies will be presented to illustrate the speed and accuracy of the protocol.