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SUMMARY:Is the crystallisation of pharmaceutical molecules controlled by t
 hermodynamics or kinetics? - Prof. Sarah (Sally) Price\, UCL
DTSTART:20160804T130000Z
DTEND:20160804T140000Z
UID:TALK66158@talks.cam.ac.uk
CONTACT:Sharon Connor
DESCRIPTION:Computational methods of predicting the crystal structure of a
 n organic molecule from the chemical diagram have been based on the assump
 tion that it will be the thermodynamically most stable structure. Such cry
 stal structure prediction (CSP) methods often generate a range of crystal 
 structures that are close in energy\, with some of the thermodynamically c
 ompetitive structures being observed as polymorphs. Now that CSP methods c
 an be applied to small drug molecules\, we have been testing how these cal
 culations can be used as a complement to industrial solid form screening. 
 This helps predict possible polymorphs\, but also brings into focus many q
 uestions about the causes and control of polymorphism.  Why don’t we fin
 d more polymorphs? Can the most thermodynamically stable structure always 
 be found?\n 
LOCATION:Pfizer Lecture Theatre\,  Department of Chemistry
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