Presentation on Analytic Model of Binding @CECAM

Post date: Jun 19, 2017 9:44:47 PM

I have had the opportunity to present our recent development of an analytic probabilistic model of alchemical binding at the "Beyond Kd's" CECAM conference organized by Sereina Riniker, Lyna Luo, and Chris Chipot at Lausanne in Switzerland. One of the aims of this project is to extract physical parameters such as the volume of the binding site and the local dielectric constant of the binding site from binding free energy profiles.

Click below to view the slides of the presentation. Feedback is welcome.