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FIGHTING COVID-19!

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Folding@Home is a project focused on disease research. This medical research involves very complex calculations – and the Stanford School of Medicine can use your help to find cures! Most apps don’t use multi core processors (which modern computers have). Those unused resources are used by the Stanford School of Medicine to further their medical research efforts. Don’t worry, if your computer needs those dormant resources, the Stanford app will step aside and wait until you’re done.

You can help FIGHT COVID-19!

What do you need to do?
– Install one simple, non-intrusive program
– JOIN OUR TEAM #260341

JOIN THE FIGHT & F COVID-19

All the nitty gritty can be found by visiting the FOLDING@HOME website

Projects 14328-14329,14332-14361,14363-14378,14600-14628,14630-14671

(The original page can be reached by clicking the banner just above this text field.)

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 projects 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.

14300 series

  • 14328 – Coronavirus SARS-CoV-2 main protease in complex with an inhibitor N3 (PDBID:6lu7) 
  • 14329 – Coronavirus SARS-CoV-2 main protease in complex with an inhibitor N3 (PDBID:6lu7) 
  • 14332 – SARS coronavirus spike receptor-binding domain complexed with its receptor ACE2 (PDB: 2ajf)
  • 14333 – SARS-CoV-2 RBD domain in complex with human neutralizing S230 antibody Fab fragment (PDBs: 6nb8, 2ghv) [http://dx.doi.org/10.1016/j.cell.2018.12.028]
  • 14334 – SARS-CoV-2 RBD domain in complex with human neutralizing S230 antibody Fab fragment (PDBs: 6nb8, 2ghv) [http://dx.doi.org/10.1016/j.cell.2018.12.028]
  • 14335 – SARS-CoV-2 RBD domain in complex with human neutralizing S230 antibody Fab fragment (PDBs: 6nb8, 2ghv) [http://dx.doi.org/10.1016/j.cell.2018.12.028]
  • 14336 -SARS-CoV-2 RBD domain in complex with human ACE2 receptor (PDB: 6vsb, 6acg)
  • 14337 – FEP screening of Coronavirus SARS-CoV-2 main protease in complex with potential inhibitors (100_Ligands)
  • 14338 – FEP screening of Coronavirus SARS-CoV-2 main protease in complex with potential inhibitors  (100_Ligands)
  • 14339 – FEP screening of potential protease inhibitors in solution  (100_Ligands)
  • 14340 – clone of 14332
  • 14341 – clone of 14333
  • 14342 – clone of 14334
  • 14343 – clone of 14335
  • 14344 – clone of 14336
  • 14345 – clone of 14338
  • 14346 – FEP screening of Coronavirus SARS-CoV-2 main protease in complex with potential inhibitors  (7 fragment hits)
  • 14347 – FEP screening of protease inhibitors in solution  (7 fragment hits)
  • 14348 – FEP screening of protease inhibitors in solution  (7 fragment hits)
  • 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)
  • 14353 – FEP screening of protease inhibitors in solution  (72_L 401-500)
  • 14354 – FEP screening of protease inhibitors in solution  (72_L 501-600)
  • 14355 – FEP screening of protease inhibitors in solution  (72_L 601-700)
  • 14356 – FEP screening of protease inhibitors in solution  (72_L 701-800)
  • 14357 – FEP screening of protease inhibitors in solution  (72_L 801-900)
  • 14358 – FEP screening of protease inhibitors in solution  (72_L 901-1000)
  • 14359 – FEP screening of protease inhibitors in solution  (72_L 1001-1100)
  • 14360 – FEP screening of protease inhibitors in solution  (72_L 1101-1200)
  • 14361 – FEP screening of protease inhibitors in solution  (72_L 1201-1300)

COVID Moonshot designs — see https://covid.postera.ai/covid 

  • 14363 – FEP screening of protease inhibitors in complex  (MOONSHOT 03-23 1-500 LR)
  • 14364 – FEP screening of protease inhibitors in solution  (MOONSHOT 03-23 1-500 L)
  • 14365 – FEP screening of protease inhibitors in complex  (MOONSHOT 03-26 1-1500 RL)
  • 14366 – FEP screening of protease inhibitors in complex  (MOONSHOT 03-26 1501-3000 RL)
  • 14367 – FEP screening of protease inhibitors in complex  (MOONSHOT 03-26 3001-4500 RL)
  • 14368 – FEP screening of protease inhibitors in complex  (MOONSHOT 03-26 4501-5660 RL)
  • 14369 – FEP screening of protease inhibitors in solution  (MOONSHOT 03-26 1-1500 L)
  • 14370 – FEP screening of protease inhibitors in solution  (MOONSHOT 03-26 1501-3000 L)
  • 14371 – FEP screening of protease inhibitors in solution  (MOONSHOT 03-26 3001-4500 L)
  • 14372 – FEP screening of protease inhibitors in solution  (MOONSHOT 03-26 4501-5660 L)

MLTN series 

  • 14373 – FEP screening of protease inhibitors in complex (MLTN 1-100 RL)
  • 14374 – FEP screening of protease inhibitors in solution (MLTN 1-100 L)

MS0331 series 

  • 14375 – FEP screening of protease inhibitors in complex (MS0331 1-2264 RL)
  • 14376 – FEP screening of protease inhibitors in solution (MS0331 1-2264

MS0406 series 

  • 14377 – FEP screening of protease inhibitors in complex (MS0406 1-428 RL)
  • 14378 – FEP screening of protease inhibitors in solution (MS0406 1-428 L)

14600 series – “72” 

  • 14600 – FEP screening of protease inhibitors in complex  (72_RL 1-100)
  • 14601 – FEP screening of protease inhibitors in complex  (72_RL 101-200)
  • 14602 – FEP screening of protease inhibitors in complex  (72_RL 201-300)
  • 14603 – FEP screening of protease inhibitors in complex  (72_RL 301-400)
  • 14604 – FEP screening of protease inhibitors in complex  (72_RL 401-500)
  • 14605 – FEP screening of protease inhibitors in complex  (72_RL 501-600)
  • 14606 – FEP screening of protease inhibitors in complex  (72_RL 601-700)
  • 14607 – FEP screening of protease inhibitors in complex  (72_RL 701-800)
  • 14608 – FEP screening of protease inhibitors in complex  (72_RL 801-900)
  • 14609 – FEP screening of protease inhibitors in complex  (72_RL 901-1000)
  • 14610 – FEP screening of protease inhibitors in complex  (72_RL 1001-1100)
  • 14611 – FEP screening of protease inhibitors in complex  (72_RL 1101-1200)
  • 14612 – FEP screening of protease inhibitors in complex  (72_RL 1201-1300)

14600 series – “AGG” 

  • 14613 through 14628 – FEP screening of protease inhibitors in complex  (AGG_RL)
  • 14630 through 14643 – FEP screening of protease inhibitors in complex  (AGG_RL)

14600 series – “387” 

  • 14645 through 14656 – FEP screening of protease inhibitors in complex (387_RL)
  • 14660 through 14671 – FEP screening of protease inhibitors in solution (387_L)

 

List of Contributors

This project is managed by Prof. Vincent Voelz at Temple University.

Dr. Voelz’s research focuses on using new simulation methods to unravel the mysteries of how proteins self-assemble into their functional folds, and to design folding and binding properties of proteins and peptide mimetics from first principles. The Voelz Lab participates in the Folding@home project, hosting two servers at Temple University. Dr. Voelz was formerly a postdoctoral scholar in the Vijay Pande lab at Stanford University.