Folding project #13429, COVID-19 research

Research section Research projects and references

Project #13429 overview

Project Summary AI Beta

Scientists are using computer simulations to find new drugs that can stop the COVID-19 virus. The top candidates will be tested in labs. You can track their progress online and even help fund the 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: 4,082
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 substance with a defined chemical structure.

Technical: BiotechnologyPharmacology / Drug Discovery

In pharmacology and chemistry, a compound refers to a substance made up of two or more elements chemically combined. Compounds are often used in drug development to create new medications that can treat diseases.

SARS-CoV-2

Severe Acute Respiratory Syndrome Coronavirus 2

Scientific: BiomedicinePathology / Virology

SARS-CoV-2 is the virus responsible for causing COVID-19. It's a type of coronavirus that primarily affects the respiratory system.

viral protease

An enzyme produced by viruses that cleaves viral proteins.

Scientific: BiomedicinePathology / Virology

Viral proteases are essential for the replication of viruses. They act as enzymes that break down viral proteins, allowing the virus to assemble new particles and infect more cells.

COVID Moonshot

An initiative to rapidly develop an effective treatment for COVID-19.

Project: BiotechnologyMedicine / Drug Discovery

The COVID Moonshot is a collaborative effort involving scientists, researchers, and organizations from around the world. Its goal is to accelerate the development of new therapies for COVID-19 by using open science principles and rapid prototyping.

GoFundMe

A website for raising money online.

Platform: TechnologyCrowdfunding / Nonprofit

GoFundMe is a popular platform that allows individuals and organizations to raise funds for various causes. People can create campaigns and share them with their networks, encouraging donations.

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 GTX 1070 Mobile GP104M [GeForce GTX 1070 Mobile]	Nvidia	GP104M	949,816	18,306	51.89	0 ^hrs 28 ^mins
2	GeForce GTX 1080 Mobile GP104M [GeForce GTX 1080 Mobile]	Nvidia	GP104M	898,268	17,180	52.29	0 ^hrs 28 ^mins
3	GeForce GTX 960 GM206 [GeForce GTX 960] 2308	Nvidia	GM206	724,516	16,722	43.33	0 ^hrs 33 ^mins
4	GeForce GTX 970 GM204 [GeForce GTX 970] 3494	Nvidia	GM204	666,624	16,133	41.32	0 ^hrs 35 ^mins
5	GeForce GTX 980 GM204 [GeForce GTX 980] 4612	Nvidia	GM204	574,118	15,460	37.14	0 ^hrs 39 ^mins
6	GeForce GTX 1050 Ti Mobile GP107M [GeForce GTX 1050 Ti Mobile]	Nvidia	GP107M	554,904	15,394	36.05	0 ^hrs 40 ^mins
7	GeForce GTX 660 Ti GK104 [GeForce GTX 660 Ti] 2634	Nvidia	GK104	354,515	12,868	27.55	0 ^hrs 52 ^mins
8	GeForce GTX 780 Ti GK110 [GeForce GTX 780 Ti] 5046	Nvidia	GK110	347,615	12,865	27.02	0 ^hrs 53 ^mins
9	GeForce GTX 750 Ti GM107 [GeForce GTX 750 Ti] 1389	Nvidia	GM107	334,614	12,914	25.91	0 ^hrs 56 ^mins
10	GeForce GT 1030 GP108 [GeForce GT 1030] 1127	Nvidia	GP108	285,992	12,154	23.53	1 ^hrs 1 ^mins
11	GeForce GTX 760 GK104 [GeForce GTX 760] 2258	Nvidia	GK104	278,024	11,757	23.65	1 ^hrs 1 ^mins
12	Radeon RX Vega 56/64 Vega 10 XL/XT [Radeon RX Vega 56/64]	AMD	Vega 10 XL/XT	246,340	11,395	21.62	1 ^hrs 7 ^mins
13	Quadro K4200 GK104 [Quadro K4200]	Nvidia	GK104	238,465	11,508	20.72	1 ^hrs 9 ^mins
14	Quadro P620 GP107GL [Quadro P620]	Nvidia	GP107GL	236,675	11,302	20.94	1 ^hrs 9 ^mins
15	Radeon VII Vega 20 [Radeon VII] 13,284	AMD	Vega 20	214,241	10,913	19.63	1 ^hrs 13 ^mins
16	Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590]	AMD	Ellesmere XT	187,077	10,550	17.73	1 ^hrs 21 ^mins
17	GRID M40 GM107GL [GRID M40]	Nvidia	GM107GL	186,007	10,685	17.41	1 ^hrs 23 ^mins
18	GeForce GTX 960M GM107 [GeForce GTX 960M] 1439	Nvidia	GM107	172,084	10,276	16.75	1 ^hrs 26 ^mins
19	GeForce MX150 GP108 [GeForce MX150]	Nvidia	GP108	169,658	10,132	16.74	1 ^hrs 26 ^mins

20	GeForce GTX 770 GK104 [GeForce GTX 770] 3213	Nvidia	GK104	140,326	9,752	14.39	1 ^hrs 40 ^mins
21	GeForce MX250 GP108M [GeForce MX250]	Nvidia	GP108M	137,267	9,188	14.94	1 ^hrs 36 ^mins
22	Quadro K1200 GM107GL [Quadro K1200]	Nvidia	GM107GL	133,794	9,439	14.17	1 ^hrs 42 ^mins
23	Radeon R9 200/300X Series Hawaii [Radeon R9 200/300X Series]	AMD	Hawaii	131,984	9,387	14.06	1 ^hrs 42 ^mins
24	Radeon HD 7790 Bonaire XT [Radeon HD 7790]	AMD	Bonaire XT	131,052	9,513	13.78	1 ^hrs 45 ^mins
25	GeForce GTX 1050 Mobile GP107M [GeForce GTX 1050 Mobile]	Nvidia	GP107M	126,227	7,280	17.34	1 ^hrs 23 ^mins
26	Radeon R9 200/300 Series Hawaii [Radeon R9 200/300 Series]	AMD	Hawaii	124,351	8,748	14.21	1 ^hrs 41 ^mins
27	GeForce MX230 GP108M [GeForce MX230]	Nvidia	GP108M	119,970	9,005	13.32	1 ^hrs 48 ^mins
28	Quadro K620 GM107GL [Quadro K620]	Nvidia	GM107GL	117,017	8,942	13.09	1 ^hrs 50 ^mins
29	Radeon R9 280/HD 7900/8950 Tahiti PRO [Radeon R9 280/HD 7900/8950]	AMD	Tahiti PRO	98,001	8,101	12.10	1 ^hrs 59 ^mins
30	Radeon HD 7800 Pitcairn [Radeon HD 7800]	AMD	Pitcairn	95,913	8,475	11.32	2 ^hrs 7 ^mins
31	Quadro K4000 GK104 [Quadro K4000]	Nvidia	GK104	88,631	8,215	10.79	2 ^hrs 13 ^mins
32	GeForce GTX 560 Ti GF114 [GeForce GTX 560 Ti]	Nvidia	GF114	83,945	8,124	10.33	2 ^hrs 19 ^mins
33	Ryzen vega 8 mobile Raven [Ryzen vega 8 mobile]	AMD	Raven	82,281	7,979	10.31	2 ^hrs 20 ^mins
34	Quadro K5100M GK104 [Quadro K5100M]	Nvidia	GK104	81,932	7,223	11.34	2 ^hrs 7 ^mins
35	Radeon R9 Fury X Fiji XT [Radeon R9 Fury X]	AMD	Fiji XT	80,915	7,949	10.18	2 ^hrs 21 ^mins
36	GeForce 920M GK208 [GeForce 920M]	Nvidia	GK208	78,045	8,014	9.74	2 ^hrs 28 ^mins
37	Radeon R7 250X/HD 7700/8760 R575A [Radeon R7 250X/HD 7700/8760]	AMD	R575A	75,916	7,857	9.66	2 ^hrs 29 ^mins
38	GeForce GT 730 GK208B [GeForce GT 730] 692.7	Nvidia	GK208B	74,095	7,789	9.51	2 ^hrs 31 ^mins
39	GeForce GTX 460 v2 GF114 [GeForce GTX 460 v2] 1045.6	Nvidia	GF114	65,249	7,102	9.19	2 ^hrs 37 ^mins

40	Radeon RX 460 Baffin XT [Radeon RX 460]	AMD	Baffin XT	55,456	4,172	13.29	1 ^hrs 48 ^mins
41	GeForce GT 640 GK107 [GeForce GT 640] 693	Nvidia	GK107	51,791	6,868	7.54	3 ^hrs 11 ^mins
42	GeForce GTX 550 Ti GF116 [GeForce GTX 550 Ti] 691	Nvidia	GF116	50,151	6,746	7.43	3 ^hrs 14 ^mins
43	Radeon RX Vega M XL [Radeon RX Vega M XL]	AMD	Vega	46,908	4,779	9.82	2 ^hrs 27 ^mins
44	GeForce GTS 450 GF106 [GeForce GTS 450]	Nvidia	GF106	38,610	6,288	6.14	3 ^hrs 55 ^mins
45	GeForce GT 710 GK208B [GeForce GT 710] 366	Nvidia	GK208B	33,584	6,030	5.57	4 ^hrs 19 ^mins
46	Radeon RX Vega gfx902 raven [Radeon RX Vega gfx902]	AMD	raven	33,010	5,134	6.43	3 ^hrs 44 ^mins

Research: COVID-19 Folding Project #13429

Project Summary AI Beta

Project team

Work unit

Official Project Description

Hardware Performance for Project 13429

GPU PPD Averages

Research: COVID-19 Folding Project #13429

Project Summary AI Beta

Project team

Work unit

Related projects

GPU PPD Averages