September MOE advanced training sessions: X-ray crystallography
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 , will lead the training sessions via Zoom. Sign up for as many sessions as you want to attend using . 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, . If you have questions about MOE, or how to access the software, contact Jarrod Smith.
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