This webinar was presented by Gregory Warren, Ph.D., Senior Applications Scientist from OpenEye on Wednesday, October 12, 2016 at 12pm EDT (9am PDT).
: Using solvent mapping to drive optimization of a fragment based campaign for Epoxide Hydrolase
Solvent mapping results have shown potential for providing interesting and novel insights into protein binding sites and how ligands interact with the protein and solvent. However, examples of using these methods to drive lead optimization, particularly starting from fragments, are rare. In this webinar we present results from a chronological prospective evaluation for a set of 52 Epoxide Hydrolase structures using BROOD and Gameplan.
To download the presentation, click below:
BROOD and Gameplan: Using solvent mapping to drive optimization of a fragment based campaign for Epoxide Hydrolase - PDF