University of Cambridge > Talks.cam > Electronic Structure Discussion Group > Electronic Structure Aided Drug Discovery

Electronic Structure Aided Drug Discovery

Add to your list(s) Download to your calendar using vCal

If you have a question about this talk, please contact Joseph Nelson.

Computational free energy methods have the potential to increase the efficiency of the drug discovery process by focusing experimental investigations on small molecules that are predicted to provide therapeutic benefit. However, the predictive accuracy of these methods depends critically on the underlying molecular mechanics force field that is used to describe intermolecular interactions. In this talk, I will describe how a range of electronic structure methods, many of which were developed here in TCM , have the potential to improve the efficiency of computer-aided drug design.

This talk is part of the Electronic Structure Discussion Group series.

Tell a friend about this talk:

This talk is included in these lists:

Note that ex-directory lists are not shown.

 

© 2006-2017 Talks.cam, University of Cambridge. Contact Us | Help and Documentation | Privacy and Publicity