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SUMMARY:Electronic Structure Aided Drug Discovery - Daniel Cole (TCM)
DTSTART:20160309T110000Z
DTEND:20160309T114000Z
UID:TALK65000@talks.cam.ac.uk
CONTACT:Joseph Nelson
DESCRIPTION:Computational free energy methods have the potential to increa
 se the efficiency of the drug discovery process by focusing experimental i
 nvestigations on small molecules that are predicted to provide therapeutic
  benefit. However\, the predictive accuracy of these methods depends criti
 cally on the underlying molecular mechanics force field that is used to de
 scribe intermolecular interactions. In this talk\, I will describe how a r
 ange of electronic structure methods\, many of which were developed here i
 n TCM\, have the potential to improve the efficiency of computer-aided dru
 g design.
LOCATION:TCM Seminar Room\, Cavendish Laboratory
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