San Diego, CA
April 24-26, 2017
OpenEye will be attending and presenting at Drug Discovery Chemistry.
Please join us on Tuesday April 25 at 3:10pm as Paul Hawkins, Ph.D. from OpenEye presents:
Conformational Sampling of Macrocycles: Recent Progress
Macrocyclic molecules have been shown to be orally bioavailable ligands for targets such as GPCRs and protein-protein interfaces. Greater exploitation of macrocycles in drug discovery has been stymied by a lack of computational methods to investigate their properties, including their conformational space. Here we present some recent work on conformational sampling of macrocycles that attempts to balance sampling near conformations likely to be relevant to biological activity with the time required for the calculation.
OpenEye will also be exhibiting. Please visit us at Booth #413. We look forward to seeing you!