Folding project #13456, COVID-19 research

Research section Research projects and references

Project #13456 overview

Project Summary AI Beta

Scientists are using computer simulations to find new drugs that fight COVID-19. They're looking for molecules that block a key protein the virus needs to survive. The best candidates will be made in labs and tested. You can track their progress online and even help fund the project!

Automated summary; simplified and may not be fully accurate.

Project team

Manager(s): Dr. John Chodera
Institution: Memorial Sloan Kettering Cancer Center
Website: Open project site

Work unit

Atoms: 89,709
Core: OPENMM_22
Status: Beta

Source material

Official Project Description

https://www.youtube.com/watch?v=VnyaAmM1nhEThese projects are rapid sprints of relative alchemical free energy calculations for prioritizing compound designs from chemists from the COVID Moonshot for synthesis.

Top-scoring molecules will be made and tested in a laboratory by the COVID Moonshot as it works to develop an open science patent-free inexpensive therapy for COVID-19 that shuts down the essential SARS-CoV-2 main viral protease.

The COVID Moonshot has already made and tested hundreds of compounds, and is pursuing several good lead series.

You can see their progress in real time here:
https://covid.postera.ai/covid/submissions/compounds To learn more about what the Moonshot is and how it came about, you can read our blog post or watch this video. In addition to helping us prioritize compounds, you can help us purchase more compounds for synthesis at cost from Enamine by sponsoring our GoFundMe page for patent-free open science COVID-19 drug discovery! This is a radical new approach to drug discovery that aims to rapidly produce inexpensive new therapies. SARS-CoV-2 main viral potease (Mpro) with ligand bound, from the RCSB.

Reading reference

Related Terms Glossary AI Beta

Automated high-level definitions; simplified and may not be fully accurate.

compound

A chemical substance used in research or medicine.

Technical: BiotechnologyPharmacology / Drug Discovery

Compounds are the building blocks of medicines and other chemicals. In drug discovery, scientists search for compounds that can interact with specific targets in the body to treat diseases.

SARS-CoV-2

Severe acute respiratory syndrome coronavirus 2

Scientific: MedicinePathology / Virology

SARS-CoV-2 is the virus responsible for causing COVID-19. It's a type of coronavirus that spreads through respiratory droplets and can lead to serious respiratory illness.

viral protease

An enzyme produced by viruses that plays a crucial role in their replication.

Scientific: MedicinePathology / Virology

Viral proteases are essential for viruses to make copies of themselves. They cut up viral proteins into smaller pieces that can then assemble into new virus particles.

COVID Moonshot

A collaborative research initiative to rapidly develop treatments for COVID-19.

Technical: BiotechnologyPharmacology / Drug Discovery

The COVID Moonshot is an ambitious project that brings together scientists, researchers, and organizations from around the world to accelerate the discovery and development of new COVID-19 therapies.

GPU PPD Averages

Rank Project	Model Name Folding@Home Identifier	Make Brand	GPU Model	PPD Average	Points WU Average	WUs Day Average	WU Time Average
1	GeForce RTX 3090 GA102 [GeForce RTX 3090]	Nvidia	GA102	5,423,202	283,683	19.12	1 ^hrs 15 ^mins
2	GeForce RTX 3080 Ti GA102 [GeForce RTX 3080 Ti]	Nvidia	GA102	4,242,809	269,952	15.72	1 ^hrs 32 ^mins
3	GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448	Nvidia	TU102	3,826,207	254,611	15.03	1 ^hrs 36 ^mins
4	GeForce RTX 3080 GA102 [GeForce RTX 3080]	Nvidia	GA102	3,386,817	244,879	13.83	1 ^hrs 44 ^mins
5	GeForce RTX 3080 Lite Hash Rate GA102 [GeForce RTX 3080 Lite Hash Rate]	Nvidia	GA102	3,118,665	239,981	13.00	1 ^hrs 51 ^mins
6	Radeon RX 6900 XT Navi 21 [Radeon RX 6900 XT]	AMD	Navi 21	3,071,435	237,216	12.95	1 ^hrs 51 ^mins
7	GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448	Nvidia	TU102	2,940,940	227,501	12.93	1 ^hrs 51 ^mins
8	GeForce RTX 3070 Ti GA104 [GeForce RTX 3070 Ti]	Nvidia	GA104	2,899,598	240,539	12.05	1 ^hrs 59 ^mins
9	TITAN Xp GP102 [TITAN Xp] 12150	Nvidia	GP102	2,885,773	239,882	12.03	1 ^hrs 60 ^mins
10	GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER]	Nvidia	TU104	2,812,723	236,354	11.90	2 ^hrs 1 ^mins
11	GeForce RTX 3070 GA104 [GeForce RTX 3070]	Nvidia	GA104	2,722,638	226,011	12.05	1 ^hrs 60 ^mins
12	Radeon RX 6800/6800 XT / 6900 XT Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]	AMD	Navi 21	2,707,629	251,649	10.76	2 ^hrs 14 ^mins
13	GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068	Nvidia	TU104	2,484,546	220,075	11.29	2 ^hrs 8 ^mins
14	GeForce RTX 2080 TU104 [GeForce RTX 2080]	Nvidia	TU104	2,324,804	220,142	10.56	2 ^hrs 16 ^mins
15	GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER]	Nvidia	TU106	2,244,283	212,620	10.56	2 ^hrs 16 ^mins
16	Tesla P40 GP102GL [Tesla P40] 11760	Nvidia	GP102GL	2,223,540	214,254	10.38	2 ^hrs 19 ^mins
17	GeForce RTX 3070 Mobile / Max-Q 8GB/16GB GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]	Nvidia	GA104M	1,982,806	246,654	8.04	2 ^hrs 59 ^mins
18	GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465	Nvidia	TU106	1,972,324	201,557	9.79	2 ^hrs 27 ^mins
19	GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti]	Nvidia	GA104	1,785,000	198,182	9.01	2 ^hrs 40 ^mins

20	GeForce RTX 3060 Mobile / Max-Q GA106M [GeForce RTX 3060 Mobile / Max-Q]	Nvidia	GA106M	1,767,074	194,627	9.08	2 ^hrs 39 ^mins
21	GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873	Nvidia	GP104	1,738,538	194,645	8.93	2 ^hrs 41 ^mins
22	GeForce RTX 2060 TU106 [Geforce RTX 2060]	Nvidia	TU106	1,727,161	198,821	8.69	2 ^hrs 46 ^mins
23	GeForce RTX 3060 Ti Lite Hash Rate GA104 [GeForce RTX 3060 Ti Lite Hash Rate]	Nvidia	GA104	1,716,069	195,558	8.78	2 ^hrs 44 ^mins
24	GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380	Nvidia	GP102	1,678,205	165,547	10.14	2 ^hrs 22 ^mins
25	GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463	Nvidia	GP104	1,345,247	180,881	7.44	3 ^hrs 14 ^mins
26	Radeon RX 6600/6600 XT/6600M Navi 23 [Radeon RX 6600/6600 XT/6600M]	AMD	Navi 23	1,325,529	179,488	7.39	3 ^hrs 15 ^mins
27	GeForce RTX 3060 GA106 [GeForce RTX 3060]	Nvidia	GA106	1,270,829	177,581	7.16	3 ^hrs 21 ^mins
28	GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER]	Nvidia	TU116	1,145,569	168,577	6.80	3 ^hrs 32 ^mins
29	GeForce GTX 1660 TU116 [GeForce GTX 1660]	Nvidia	TU116	1,113,887	174,686	6.38	3 ^hrs 46 ^mins
30	GeForce GTX 1660 Ti TU116 [GeForce GTX 1660 Ti]	Nvidia	TU116	1,092,469	168,912	6.47	3 ^hrs 43 ^mins
31	Radeon RX Vega 56/64 Vega 10 XL/XT [Radeon RX Vega 56/64]	AMD	Vega 10 XL/XT	1,077,727	166,448	6.47	3 ^hrs 42 ^mins
32	Radeon RX 5600 OEM/5600 XT/5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]	AMD	Navi 10	1,057,641	164,500	6.43	3 ^hrs 44 ^mins
33	GeForce RTX 2060 Mobile TU106M [GeForce RTX 2060 Mobile]	Nvidia	TU106M	1,047,482	131,257	7.98	3 ^hrs 0 ^mins
34	Radeon RX 6700/6700 XT / 6800M Navi 22 [Radeon RX 6700/6700 XT / 6800M]	AMD	Navi 22	991,030	122,818	8.07	2 ^hrs 58 ^mins
35	GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372	Nvidia	GP106	699,742	146,445	4.78	5 ^hrs 1 ^mins
36	GeForce GTX 1650 SUPER TU116 [GeForce GTX 1650 SUPER]	Nvidia	TU116	682,762	138,319	4.94	4 ^hrs 52 ^mins
37	GeForce GTX 1650 TU116 [GeForce GTX 1650] 2984	Nvidia	TU116	548,681	161,302	3.40	7 ^hrs 3 ^mins
38	Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590]	AMD	Ellesmere XT	492,679	129,459	3.81	6 ^hrs 18 ^mins
39	Radeon R9 200/300 Series Hawaii [Radeon R9 200/300 Series]	AMD	Hawaii	462,544	128,375	3.60	6 ^hrs 40 ^mins

40	GeForce GTX 1650 Mobile / Max-Q TU117M [GeForce GTX 1650 Mobile / Max-Q]	Nvidia	TU117M	453,493	135,625	3.34	7 ^hrs 11 ^mins
41	Quadro T2000 Mobile / Max-Q TU117GLM [Quadro T2000 Mobile / Max-Q]	Nvidia	TU117GLM	433,990	122,728	3.54	6 ^hrs 47 ^mins
42	Radeon R9 200/300X Series Hawaii [Radeon R9 200/300X Series]	AMD	Hawaii	264,077	109,180	2.42	9 ^hrs 55 ^mins
43	Radeon R9 200/300 Series Tonga [Radeon R9 200/300 Series]	AMD	Tonga	208,719	97,238	2.15	11 ^hrs 11 ^mins
44	Radeon R7/R6 360 Series Bonaire [Radeon R7/R6 360 Series]	AMD	Bonaire	66,339	56,886	1.17	20 ^hrs 35 ^mins
45	Ryzen vega 8 mobile Raven [Ryzen vega 8 mobile]	AMD	Raven	52,692	54,400	0.97	24 ^hrs 47 ^mins
46	Radeon APU A4-6000 R2 Mullins [Radeon APU A4-6000 R2]	AMD	Mullins	6,212	58,422	0.11	225 ^hrs 43 ^mins

Research: COVID-19 Folding Project #13456

Project Summary AI Beta

Project team

Work unit

Official Project Description

Hardware Performance for Project 13456

GPU PPD Averages

Research: COVID-19 Folding Project #13456

Project Summary AI Beta

Project team

Work unit

Related projects

GPU PPD Averages