Computational approaches to fragment based screening

Polarization is an often - neglected term in molecular modelling, and this is particularly the case in docking. However, the growing interest in fragment - based drug design, coupled with the small size of fragments that makes them amenable to quantum mechanical treatment, has created new opportunit...

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Bibliographic Details
Main Author: Smith, Kevin J.
Published: University of Essex 2016
Subjects:
Online Access:http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.693707