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SUMMARY: Exploring chemical space for computational drug discovery - Alex 
 Wade\, TCM
DTSTART:20200205T113000Z
DTEND:20200205T123000Z
UID:TALK139000@talks.cam.ac.uk
CONTACT:Angela Harper
DESCRIPTION:The space of all potential pharmacologically active molecules 
 is estimated to contain 10^60 molecules. Searching this space for molecule
 s with specific properties and activities is a major challenge. This talk 
 will discuss methods to explore this space with a focus on classical molec
 ular dynamics and free energy perturbation methods.
LOCATION:TCM Seminar Room\, Cavendish Laboratory
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