September MOE advanced training sessions: X-ray crystallography

Posted by daviskd2 on Friday, August 30, 2024 in News.

Molecular Operating Environment (MOE) software users can participate in training sessions focused on X-ray crystallography. The sessions are held throughout September and cover topics, including, structure preparation, sidechain rotamer exploration, electron density maps and solvent analysis with 3D-RISM.

Mauricio Rodriguez, of Chemical Computing Group, will lead the training sessions via Zoom. Sign up for as many sessions as you want to attend using this link. The sessions are open to all Vanderbilt researchers.

MOE is a single, indivisible package which includes a broad range of applications for small molecule and macromolecular modeling and drug discovery/design. It enables a wide range of molecular modeling methods inside a modern and well-organized GUI.

The software is used by the top pharma companies and the most prestigious universities and research institutions in the world. The CSB recently upgraded to a site license that offers unlimited tokens. The upgrade allows labs to run MOE on more systems, including the clusters for running larger compute-intensive jobs like virtual screening.

To participate in the training sessions, register here. If you have questions about MOE, or how to access the software, contact Jarrod Smith.