New COVID CPU (GRO_A7) projects 14339,14349-14352 to ADV

[vvoelz]

We are releasing new COVID CPU (GRO_A7) projects 14339,14349-14352 to ADVANCED (with more to come!)

While the 1460x series are drug candidates docked to the COVID protease, these projects are drug candidates in a small box of solvent, calculations which are needed to estimate the free energy of ligand binding. Unfortunately, since the FAH Viewer only visualizes proteins, these projects are not very exciting to LOOK at, but rest assured the calculations are important and exciting!

14339 - FEP screening of potential protease inhibitors in solution (100_Ligands)
14349 - FEP screening of protease inhibitors in solution (72_L 1-100)
14350 - FEP screening of protease inhibitors in solution (72_L 101-200)
14351 - FEP screening of protease inhibitors in solution (72_L 201-300)
14352 - FEP screening of protease inhibitors in solution (72_L 301-400)

Project descriptions here: https://apps.foldingathome.org/project.py?p=14339

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Also, there is a limit of nCPUs <= 12 since the box of solvent is pretty small.

CORONAVIRUS PROJECT

These projects are part of Folding@home’s efforts to assist researchers around the world taking up the global fight against COVID-19. At the time of release, this is the latest news update: https://foldingathome.org/2020/03/10/covid19-update/

These are CPU projects to simulate COVID-19 proteins to learn about their dynamics and function. These supplement high-priority GPU projects of the main protease as well as the COVID-19 receptor binding domains. All can be considered potential drug targets.

Please stay tuned to https://foldingathome.org/news/ for more current updates.