Folding project #17419, COVID-19 research

Research section Research projects and references

Project #17419 overview

Project Summary AI Beta

This project studies the SARS-CoV-2 virus's main copying tool (nsp12). Scientists want to find weaknesses in this tool by looking for gaps where drugs could fit and see how changes to the tool affect how well drugs work.

Automated summary; simplified and may not be fully accurate.

Project team

Manager(s): Artur Meller
Institution: Washington University in St. Louis

Work unit

Atoms: 184,329
Core: OPENMM_22
Status: Public

Source material

Official Project Description

This project simulates the SARS-Cov2 nsp12 polymerase (RNA-directed RNA polymerase), which is responsible for duplicating the SARS-Cov2 genome during infection.

These simulations will focus on identifying druggable pockets on the protein's surface as well as predicting the effect of mutations on drug sensitivity.

Reading reference

Related Terms Glossary AI Beta

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

SARS-Cov2

Severe Acute Respiratory Syndrome Coronavirus 2

Virus: Biotechnology, MedicineInfectious Disease / Viral Pathogenesis

SARS-CoV-2 is the virus responsible for the COVID-19 pandemic. It's a respiratory virus that causes severe illness in some people.

nsp12

Non-structural protein 12

Protein: Biotechnology, MedicineMolecular Biology / Viral Replication

NSP12 is a viral protein essential for SARS-CoV-2 replication. It acts as the RNA polymerase, copying the virus's genetic material.

polymerase

An enzyme that catalyzes the synthesis of polymers from monomers

Enzyme: Biotechnology, MedicineMolecular Biology / DNA/RNA Synthesis

Polymerases are crucial enzymes that build long chains of molecules like DNA and RNA. In the case of SARS-CoV-2, the polymerase copies the virus's genetic material.

druggable pockets

Regions on a protein's surface that can bind to drug molecules

Biological Feature: Biotechnology, PharmaceuticsDrug Discovery / Target Identification

Druggable pockets are specific sites on proteins that scientists aim to target with drugs. Finding these pockets helps develop new medications.

mutations

Permanent alterations in the DNA sequence of an organism

Genetic Change: Biotechnology, MedicineGenetics / Viral Evolution

Mutations are changes in the genetic code. In viruses like SARS-CoV-2, mutations can lead to new variants and affect drug effectiveness.

drug sensitivity

The extent to which a pathogen or cell is affected by a drug

Biological Property: Biotechnology, PharmaceuticsPharmacology / Drug Resistance

Drug sensitivity refers to how susceptible a virus or organism is to the effects of a particular drug. Mutations can alter this sensitivity.

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	6,584,518	239,370	27.51	0 ^hrs 52 ^mins
2	GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448	Nvidia	TU102	5,129,302	219,400	23.38	1 ^hrs 2 ^mins
3	GeForce RTX 3080 10GB / 20GB GA102 [GeForce RTX 3080 10GB / 20GB]	Nvidia	GA102	4,857,303	212,389	22.87	1 ^hrs 3 ^mins
4	TITAN RTX TU102 [TITAN RTX] 16310	Nvidia	TU102	4,194,141	209,440	20.03	1 ^hrs 12 ^mins
5	GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448	Nvidia	TU102	3,938,714	198,754	19.82	1 ^hrs 13 ^mins
6	GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER]	Nvidia	TU104	2,992,002	183,893	16.27	1 ^hrs 29 ^mins
7	GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218	Nvidia	TU104	2,880,380	181,495	15.87	1 ^hrs 31 ^mins
8	GeForce RTX 2080 TU104 [GeForce RTX 2080]	Nvidia	TU104	2,828,156	179,151	15.79	1 ^hrs 31 ^mins
9	GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465	Nvidia	TU106	2,710,696	177,846	15.24	1 ^hrs 34 ^mins
10	GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380	Nvidia	GP102	2,333,793	167,458	13.94	1 ^hrs 43 ^mins
11	GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER]	Nvidia	TU106	2,129,713	163,918	12.99	1 ^hrs 51 ^mins
12	GeForce RTX 2080 SUPER Mobile / Max-Q TU104M [GeForce RTX 2080 SUPER Mobile / Max-Q]	Nvidia	TU104M	2,083,715	163,318	12.76	1 ^hrs 53 ^mins
13	GeForce RTX 2060 TU106 [Geforce RTX 2060]	Nvidia	TU106	1,880,209	156,405	12.02	1 ^hrs 60 ^mins
14	GeForce RTX 2070 TU106 [GeForce RTX 2070] M 6497	Nvidia	TU106	1,860,804	156,685	11.88	2 ^hrs 1 ^mins
15	GeForce RTX 2080 SUPER Mobile / Max-Q TU104BM [GeForce RTX 2080 SUPER Mobile / Max-Q]	Nvidia	TU104BM	1,830,786	156,419	11.70	2 ^hrs 3 ^mins
16	Radeon VII Vega 20 [Radeon VII] 13,284	AMD	Vega 20	1,723,333	152,571	11.30	2 ^hrs 7 ^mins
17	GeForce RTX 2060 TU104 [GeForce RTX 2060]	Nvidia	TU104	1,577,450	148,965	10.59	2 ^hrs 16 ^mins
18	GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873	Nvidia	GP104	1,374,812	141,406	9.72	2 ^hrs 28 ^mins
19	GeForce GTX Titan X GM200 [GeForce GTX Titan X] 6144	Nvidia	GM200	1,324,033	140,357	9.43	2 ^hrs 33 ^mins

20	GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186	Nvidia	GP104	1,319,044	140,498	9.39	2 ^hrs 33 ^mins
21	GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463	Nvidia	GP104	1,246,904	136,963	9.10	2 ^hrs 38 ^mins
22	GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER]	Nvidia	TU116	1,235,582	137,324	9.00	2 ^hrs 40 ^mins
23	Radeon RX Vega 56/64 Vega 10 XL/XT [Radeon RX Vega 56/64]	AMD	Vega 10 XL/XT	1,015,613	122,248	8.31	2 ^hrs 53 ^mins
24	GeForce GTX 980 Ti GM200 [GeForce GTX 980 Ti] 5632	Nvidia	GM200	966,184	123,128	7.85	3 ^hrs 4 ^mins
25	GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372	Nvidia	GP106	785,869	118,123	6.65	3 ^hrs 36 ^mins
26	GeForce GTX 980 GM204 [GeForce GTX 980] 4612	Nvidia	GM204	752,932	117,115	6.43	3 ^hrs 44 ^mins
27	GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935	Nvidia	GP106	749,764	116,095	6.46	3 ^hrs 43 ^mins
28	GeForce GTX 1660 TU116 [GeForce GTX 1660]	Nvidia	TU116	747,636	111,028	6.73	3 ^hrs 34 ^mins
29	Radeon RX 5600/5600 XT - 5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT / 5700/5700 XT]	AMD	Navi 10	741,919	113,756	6.52	3 ^hrs 41 ^mins
30	P104-100 GP104 [P104-100]	Nvidia	GP104	724,227	114,878	6.30	3 ^hrs 48 ^mins
31	GeForce GTX 970 GM204 [GeForce GTX 970] 3494	Nvidia	GM204	678,405	112,433	6.03	3 ^hrs 59 ^mins
32	GeForce GTX 1650 SUPER TU116 [GeForce GTX 1650 SUPER]	Nvidia	TU116	644,852	110,550	5.83	4 ^hrs 7 ^mins
33	GeForce GTX 1650 TU116 [GeForce GTX 1650] 2984	Nvidia	TU116	530,200	103,494	5.12	4 ^hrs 41 ^mins
34	P106-100 GP106 [P106-100]	Nvidia	GP106	511,082	102,400	4.99	4 ^hrs 49 ^mins
35	Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590]	AMD	Ellesmere XT	493,589	101,222	4.88	4 ^hrs 55 ^mins
36	GeForce GTX 1050 Ti GP107 [GeForce GTX 1050 Ti] 2138	Nvidia	GP107	418,195	95,656	4.37	5 ^hrs 29 ^mins
37	GeForce GTX 1050 LP GP107 [GeForce GTX 1050 LP] 1862	Nvidia	GP107	345,776	89,883	3.85	6 ^hrs 14 ^mins
38	GeForce GTX 960 GM206 [GeForce GTX 960] 2308	Nvidia	GM206	325,658	88,401	3.68	6 ^hrs 31 ^mins
39	P106-090 GP106 [P106-090]	Nvidia	GP106	320,188	87,535	3.66	6 ^hrs 34 ^mins

40	Radeon R9 200/300 Series Hawaii [Radeon R9 200/300 Series]	AMD	Hawaii	297,951	84,719	3.52	6 ^hrs 49 ^mins
41	GeForce GTX 680 GK104 [GeForce GTX 680] 3250	Nvidia	GK104	243,034	79,976	3.04	7 ^hrs 54 ^mins
42	Quadro T1000 Mobile TU117GLM [Quadro T1000 Mobile]	Nvidia	TU117GLM	220,186	77,282	2.85	8 ^hrs 25 ^mins
43	GeForce GTX 660 Ti GK104 [GeForce GTX 660 Ti] 2634	Nvidia	GK104	215,148	74,377	2.89	8 ^hrs 18 ^mins
44	Radeon HD 7800 Pitcairn [Radeon HD 7800]	AMD	Pitcairn	127,772	64,550	1.98	12 ^hrs 7 ^mins
45	GeForce GTX 750 Ti GM107 [GeForce GTX 750 Ti] 1389	Nvidia	GM107	116,980	49,841	2.35	10 ^hrs 14 ^mins
46	Quadro P400 GP107GL [Quadro P400] 641	Nvidia	GP107GL	53,001	48,416	1.09	21 ^hrs 55 ^mins
47	GeForce GTX 960M GM107 [GeForce GTX 960M] 1439	Nvidia	GM107	40,441	23,800	1.70	14 ^hrs 7 ^mins
48	Radeon APU A4-6000 R2 Mullins [Radeon APU A4-6000 R2]	AMD	Mullins	2,626	23,800	0.11	217 ^hrs 31 ^mins

Research: COVID-19 Folding Project #17419

Project Summary AI Beta

Project team

Work unit

Official Project Description

Hardware Performance for Project 17419

GPU PPD Averages

Research: COVID-19 Folding Project #17419

Project Summary AI Beta

Project team

Work unit

Related projects

GPU PPD Averages