Additivity in the Analysis and Design of HIV Protease Inhibitors

Additivity in the Analysis and Design of HIV Protease Inhibitors

We explore the applicability of an additive treatment of substituent effects to the analysis and design of HIV protease inhibitors. Affinity data for a set of inhibitors with a common chemical framework were analyzed to provide estimates of the free energy contribution of each chemical substituent....

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Bibliographic Details
Main Authors: Jorissen, Robert N. (Author), Kumar Reddy, G. S. Kiran (Author), Ali, Akbar (Author), Altman, Michael D. (Contributor), Chellappan, Sripriya (Author), Anjum, Saima G. (Author), Tidor, Bruce (Contributor), Schiffer, Celia A. (Author), Rana, Tariq M. (Author), Gilson, Michael K. (Author)
Other Authors: Massachusetts Institute of Technology. Department of Biological Engineering (Contributor), Massachusetts Institute of Technology. Department of Chemistry (Contributor), Massachusetts Institute of Technology. Department of Electrical Engineering and Computer Science (Contributor)
Format: Article
Language:English
Published: American Chemical Society (ACS), 2012-10-02T15:07:59Z.
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