Folding project #13448, COVID-19 research

Research section Research projects and references

Project #13448 overview

Project Summary AI Beta

Scientists are using computer simulations to find promising drugs against COVID-19. Top candidates will be tested in labs by the COVID Moonshot project, which aims to develop an affordable and accessible treatment. You can track their progress online and even help fund their research!

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: Public

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 designs

The design of chemical compounds for pharmaceutical purposes.

technical: BiotechnologyDrug Discovery / COVID-19 Treatment

Compound designs refer to the process of creating new chemical substances with specific properties that can be used as potential medications. This involves understanding the molecular structure and function of disease targets and designing compounds that can interact with them in a beneficial way.

COVID Moonshot

An international collaborative effort to rapidly develop and deploy effective treatments for COVID-19.

Project: BiotechnologyDrug Discovery / COVID-19 Treatment

The COVID Moonshot is a global initiative focused on accelerating the development of new therapies for COVID-19. It involves researchers, scientists, and organizations from around the world working together to identify promising drug candidates, conduct clinical trials, and make treatments widely available.

SARS-CoV-2

Severe Acute Respiratory Syndrome Coronavirus 2

Scientific: BiotechnologyVirology / Infectious Diseases

SARS-CoV-2 is the virus that causes COVID-19. It's a type of coronavirus, which are a family of viruses known to cause respiratory illnesses in humans and animals.

main viral protease

An enzyme essential for the replication of certain viruses, including SARS-CoV-2.

Scientific: BiotechnologyVirology / Infectious Diseases

A viral protease is a type of enzyme that plays a crucial role in the life cycle of viruses like SARS-CoV-2. It helps the virus replicate by cutting up proteins into smaller pieces that can then be assembled into new viral particles.

Mpro

Main viral protease

Acronym: BiotechnologyVirology / Infectious Diseases

Mpro is a short form for main viral protease, an enzyme essential for the replication of SARS-CoV-2.

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	6,808,594	307,171	22.17	1 ^hrs 5 ^mins
2	GeForce RTX 3080 Ti GA102 [GeForce RTX 3080 Ti]	Nvidia	GA102	6,368,983	296,359	21.49	1 ^hrs 7 ^mins
3	GeForce RTX 3080 GA102 [GeForce RTX 3080]	Nvidia	GA102	5,110,160	281,979	18.12	1 ^hrs 19 ^mins
4	GeForce RTX 3080 10GB / 20GB GA102 [GeForce RTX 3080 10GB / 20GB]	Nvidia	GA102	4,847,471	275,959	17.57	1 ^hrs 22 ^mins
5	Quadro RTX 6000/8000 TU102GL [Quadro RTX 6000/8000]	Nvidia	TU102GL	4,354,017	267,086	16.30	1 ^hrs 28 ^mins
6	GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448	Nvidia	TU102	4,237,565	264,004	16.05	1 ^hrs 30 ^mins
7	Radeon RX 6900 XT Navi 21 [Radeon RX 6900 XT]	AMD	Navi 21	4,104,203	262,095	15.66	1 ^hrs 32 ^mins
8	GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448	Nvidia	TU102	3,931,333	256,556	15.32	1 ^hrs 34 ^mins
9	GeForce RTX 3070 Ti GA104 [GeForce RTX 3070 Ti]	Nvidia	GA104	3,914,619	254,548	15.38	1 ^hrs 34 ^mins
10	GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380	Nvidia	GP102	3,314,907	243,362	13.62	1 ^hrs 46 ^mins
11	GeForce RTX 3070 GA104 [GeForce RTX 3070]	Nvidia	GA104	3,222,586	241,963	13.32	1 ^hrs 48 ^mins
12	TITAN Xp GP102 [TITAN Xp] 12150	Nvidia	GP102	3,151,643	239,715	13.15	1 ^hrs 50 ^mins
13	GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER]	Nvidia	TU104	2,944,875	234,269	12.57	1 ^hrs 55 ^mins
14	Radeon RX 6800/6800 XT / 6900 XT Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]	AMD	Navi 21	2,891,509	232,248	12.45	1 ^hrs 56 ^mins
15	GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068	Nvidia	TU104	2,774,241	229,855	12.07	1 ^hrs 59 ^mins
16	GeForce RTX 2080 TU104 [GeForce RTX 2080]	Nvidia	TU104	2,716,343	228,287	11.90	2 ^hrs 1 ^mins
17	GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218	Nvidia	TU104	2,651,040	224,505	11.81	2 ^hrs 2 ^mins
18	GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465	Nvidia	TU106	2,566,783	223,807	11.47	2 ^hrs 6 ^mins
19	GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti]	Nvidia	GA104	2,519,700	222,533	11.32	2 ^hrs 7 ^mins

20	GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER]	Nvidia	TU106	2,223,524	211,743	10.50	2 ^hrs 17 ^mins
21	GeForce RTX 2070 TU106 [GeForce RTX 2070] M 6497	Nvidia	TU106	2,004,222	199,852	10.03	2 ^hrs 24 ^mins
22	GeForce RTX 2060 TU104 [GeForce RTX 2060]	Nvidia	TU104	1,925,248	203,696	9.45	2 ^hrs 32 ^mins
23	Radeon VII Vega 20 [Radeon VII] 13,284	AMD	Vega 20	1,881,846	202,273	9.30	2 ^hrs 35 ^mins
24	GeForce RTX 3060 Laptop GPU GA106M [GeForce RTX 3060 Laptop GPU]	Nvidia	GA106M	1,795,207	198,599	9.04	2 ^hrs 39 ^mins
25	GeForce RTX 3070 Mobile / Max-Q 8GB/16GB GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]	Nvidia	GA104M	1,751,771	196,895	8.90	2 ^hrs 42 ^mins
26	GeForce RTX 3060 GA106 [GeForce RTX 3060]	Nvidia	GA106	1,741,135	195,700	8.90	2 ^hrs 42 ^mins
27	Radeon RX 6700/6700 XT / 6800M Navi 22 [Radeon RX 6700/6700 XT / 6800M]	AMD	Navi 22	1,729,183	193,538	8.93	2 ^hrs 41 ^mins
28	GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873	Nvidia	GP104	1,659,849	190,832	8.70	2 ^hrs 46 ^mins
29	GeForce RTX 2060 TU106 [Geforce RTX 2060]	Nvidia	TU106	1,635,068	186,688	8.76	2 ^hrs 44 ^mins
30	GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463	Nvidia	GP104	1,629,349	191,244	8.52	2 ^hrs 49 ^mins
31	GeForce RTX 3060 Mobile / Max-Q GA106M [GeForce RTX 3060 Mobile / Max-Q]	Nvidia	GA106M	1,588,455	184,683	8.60	2 ^hrs 47 ^mins
32	GeForce RTX 2060 Mobile TU106M [GeForce RTX 2060 Mobile]	Nvidia	TU106M	1,456,685	183,833	7.92	3 ^hrs 2 ^mins
33	GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186	Nvidia	GP104	1,382,792	181,740	7.61	3 ^hrs 9 ^mins
34	GeForce GTX 980 Ti GM200 [GeForce GTX 980 Ti] 5632	Nvidia	GM200	1,309,147	178,130	7.35	3 ^hrs 16 ^mins
35	GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER]	Nvidia	TU116	1,230,282	171,150	7.19	3 ^hrs 20 ^mins
36	Radeon RX 5600 OEM/5600 XT/5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]	AMD	Navi 10	1,196,733	172,620	6.93	3 ^hrs 28 ^mins
37	GeForce GTX 1660 Ti TU116 [GeForce GTX 1660 Ti]	Nvidia	TU116	1,049,496	165,937	6.32	3 ^hrs 48 ^mins
38	Tesla M40 GM200GL [Tesla M40] 6844	Nvidia	GM200GL	1,033,503	163,346	6.33	3 ^hrs 48 ^mins
39	GeForce GTX 1660 TU116 [GeForce GTX 1660]	Nvidia	TU116	1,025,207	164,866	6.22	3 ^hrs 52 ^mins

40	Radeon RX Vega 56/64 Vega 10 XL/XT [Radeon RX Vega 56/64]	AMD	Vega 10 XL/XT	806,202	152,082	5.30	4 ^hrs 32 ^mins
41	P104-100 GP104 [P104-100]	Nvidia	GP104	796,294	151,632	5.25	4 ^hrs 34 ^mins
42	GeForce GTX 1650 SUPER TU116 [GeForce GTX 1650 SUPER]	Nvidia	TU116	760,817	149,442	5.09	4 ^hrs 43 ^mins
43	GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372	Nvidia	GP106	759,416	148,476	5.11	4 ^hrs 42 ^mins
44	Radeon R9 Fury X Fiji XT [Radeon R9 Fury X]	AMD	Fiji XT	731,418	142,664	5.13	4 ^hrs 41 ^mins
45	GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935	Nvidia	GP106	646,397	141,533	4.57	5 ^hrs 15 ^mins
46	GeForce GTX 1650 TU117 [GeForce GTX 1650] 3091	Nvidia	TU117	586,216	127,158	4.61	5 ^hrs 12 ^mins
47	P106-100 GP106 [P106-100]	Nvidia	GP106	576,992	136,076	4.24	5 ^hrs 40 ^mins
48	Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590]	AMD	Ellesmere XT	539,336	131,039	4.12	5 ^hrs 50 ^mins
49	Quadro T2000 Mobile / Max-Q TU117GLM [Quadro T2000 Mobile / Max-Q]	Nvidia	TU117GLM	516,978	131,520	3.93	6 ^hrs 6 ^mins
50	GeForce GTX 1650 Ti Mobile TU116M [GeForce GTX 1650 Ti Mobile]	Nvidia	TU116M	514,485	129,141	3.98	6 ^hrs 1 ^mins
51	GeForce GTX 1650 TU116 [GeForce GTX 1650] 2984	Nvidia	TU116	489,874	128,824	3.80	6 ^hrs 19 ^mins
52	Radeon R9 200/300X Series Hawaii [Radeon R9 200/300X Series]	AMD	Hawaii	404,691	121,212	3.34	7 ^hrs 11 ^mins
53	GeForce GTX 1650 Mobile / Max-Q TU117M [GeForce GTX 1650 Mobile / Max-Q]	Nvidia	TU117M	374,964	115,406	3.25	7 ^hrs 23 ^mins
54	Radeon R9 200/300 Series Hawaii [Radeon R9 200/300 Series]	AMD	Hawaii	358,919	103,481	3.47	6 ^hrs 55 ^mins
55	Radeon R9 200/300 Series Tonga [Radeon R9 200/300 Series]	AMD	Tonga	234,023	101,475	2.31	10 ^hrs 24 ^mins
56	Radeon RX Vega M XL [Radeon RX Vega M XL]	AMD	Vega	191,374	94,553	2.02	11 ^hrs 51 ^mins
57	Radeon RX 5500/5500M / Pro 5500M Navi 14 [Radeon RX 5500/5500M / Pro 5500M]	AMD	Navi 14	190,290	54,400	3.50	6 ^hrs 52 ^mins
58	Radeon R9 200 Series Hawaii [Radeon R9 200 Series]	AMD	Hawaii	148,698	86,635	1.72	13 ^hrs 59 ^mins
59	Quadro P1000 GP107GL [Quadro P1000]	Nvidia	GP107GL	139,859	85,061	1.64	14 ^hrs 36 ^mins

60	Radeon RX Vega gfx902 raven [Radeon RX Vega gfx902]	AMD	raven	97,161	57,685	1.68	14 ^hrs 15 ^mins
61	Radeon Rx 270/370 Curacao Pro [Radeon Rx 270/370]	AMD	Curacao Pro	77,293	61,091	1.27	18 ^hrs 58 ^mins
62	Radeon R7/R6 360 Series Bonaire [Radeon R7/R6 360 Series]	AMD	Bonaire	72,249	61,511	1.17	20 ^hrs 26 ^mins
63	Polaris11 Baffin [Polaris11]	AMD	Baffin	63,946	54,400	1.18	20 ^hrs 25 ^mins
64	Radeon R7 250/HD 7700 R575A [Radeon R7 250/HD 7700]	AMD	R575A	32,083	54,400	0.59	40 ^hrs 42 ^mins
65	Ryzen vega 8 mobile Raven [Ryzen vega 8 mobile]	AMD	Raven	22,976	54,400	0.42	56 ^hrs 49 ^mins
66	Radeon APU A4-6000 R2 Mullins [Radeon APU A4-6000 R2]	AMD	Mullins	6,825	54,400	0.13	191 ^hrs 18 ^mins

Research: COVID-19 Folding Project #13448

Project Summary AI Beta

Project team

Work unit

Official Project Description

Hardware Performance for Project 13448

GPU PPD Averages

Research: COVID-19 Folding Project #13448

Project Summary AI Beta

Project team

Work unit

Related projects

GPU PPD Averages