Folding project #16607, COVID-19 research

Research section Research projects and references

Project #16607 overview

Project Summary AI Beta

This project uses computer simulations to study how two important proteins (nsp12 and nsp14) from the SARS-CoV-2 virus work. Researchers will test if existing drugs, like Ribirine, can block these proteins and stop the virus from replicating. This could lead to new treatments for COVID-19.

Automated summary; simplified and may not be fully accurate.

Project team

Manager(s): Prof. Xuhui Huang
Institution: Hong Kong University of Science and Technology

Work unit

Atoms: 208,193
Core: OPENMM_22
Status: Public

Source material

Official Project Description

This series of GPU projects to simulation the Nonstructural protein 12 (nsp12) and Nonstructural protein 14 (nsp14) complexes.

We will screen existing FDA-approved NTP analog drugs (e.g.

Ribirine).

We aim to repurpose drugs that can inhibit SARS-CoV-2 replication 16600: Nonstructural protein 14 and 10 (nsp14-ExoN & nsp 10) of the SARS-CoV-2 in complex with a short nascent RNA containing Cladribine at 3'-terminal. 16602: Nonstructural protein 12, 7 and 8 of the SARS-CoV-2 in complex with a short nascent RNA , template RNA and ATP in active site 16603: Nonstructural protein 12, 7 and 8 of the SARS-CoV-2 in complex with a short nascent RNA , template RNA and ATP. 16604: Nonstructural protein 12, 7 and 8 of the SARS-CoV-2 in complex with a short nascent RNA , template RNA and GTP. 16605: Nonstructural protein 12, 7 and 8 of the SARS-CoV-2 in complex with a short nascent RNA , template RNA and ATP. 16606: Nonstructural protein 12, 7 and 8 of the SARS-CoV-2 in complex with a short nascent RNA , template RNA and ATP. 16607: Nonstructural protein 12, 7 and 8 of the SARS-CoV-2 in complex with a short nascent RNA , template RNA and ATP.

Reading reference

Related Terms Glossary AI Beta

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

Nonstructural protein 12

Protein involved in RNA replication of viruses.

Scientific: BiotechnologyMolecular Biology / Viral Replication

Nonstructural protein 12 (nsp12) is a vital enzyme found in coronaviruses like SARS-CoV-2. It plays a crucial role in replicating the virus's RNA genetic material, allowing the virus to spread and infect new cells.

Nonstructural protein 14

Protein involved in RNA editing and proofreading during viral replication.

Scientific: BiotechnologyMolecular Biology / Viral Replication

Nonstructural protein 14 (nsp14) is another important protein found in coronaviruses. It helps to correct errors made during the process of copying the virus's RNA genome, ensuring accurate replication.

Complex

A group of interacting molecules, often proteins, working together.

Scientific: BiotechnologyBiochemistry / Protein Interactions

In biochemistry, a complex refers to two or more molecules that come together and interact to perform a specific function. These interactions can be temporary or long-lasting.

RNA

A nucleic acid that carries genetic information.

Scientific: BiotechnologyMolecular Biology / Genetics

Ribonucleic acid (RNA) is a crucial molecule found in all living cells. It plays a vital role in protein synthesis and carries genetic information from DNA to the ribosomes, where proteins are made.

ATP

Adenosine triphosphate

Scientific: BiotechnologyBiochemistry / Energy Transfer

ATP (adenosine triphosphate) is the primary energy currency of cells. It stores and releases chemical energy needed for various cellular processes, such as muscle contraction, nerve impulse transmission, and protein synthesis.

GTP

Guanosine triphosphate

Scientific: BiotechnologyBiochemistry / Energy Transfer

GTP (guanosine triphosphate) is a molecule similar to ATP. It plays a crucial role in various cellular processes, including protein synthesis, signal transduction, and cell division.

SARS-CoV-2

Severe Acute Respiratory Syndrome Coronavirus 2

Scientific: BiotechnologyVirology / Emerging Infectious Diseases

SARS-CoV-2 is the virus responsible for the COVID-19 pandemic. It is a respiratory virus that can cause severe illness and death.

Cladribine

A nucleoside analog used to treat multiple sclerosis and HIV.

Scientific: BiotechnologyPharmacology / Antiviral Drugs

Cladribine is a medication used to treat various immune system disorders. It works by interfering with the replication of certain cells involved in the disease process.

Ribavirin

An antiviral medication used to treat hepatitis C and respiratory syncytial virus (RSV).

Scientific: BiotechnologyPharmacology / Antiviral Drugs

Ribavirin is a widely used antiviral drug that inhibits the replication of certain viruses. It is effective against various RNA viruses, including those causing hepatitis C and RSV.

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	7,005,434	495,097	14.15	1 ^hrs 42 ^mins
2	GeForce RTX 3080 10GB / 20GB GA102 [GeForce RTX 3080 10GB / 20GB]	Nvidia	GA102	5,442,680	457,278	11.90	2 ^hrs 1 ^mins
3	GeForce RTX 3080 GA102 [GeForce RTX 3080]	Nvidia	GA102	5,299,902	453,974	11.67	2 ^hrs 3 ^mins
4	GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448	Nvidia	TU102	4,696,986	435,922	10.77	2 ^hrs 14 ^mins
5	Radeon RX 6900 XT Navi 21 [Radeon RX 6900 XT]	AMD	Navi 21	4,351,746	425,588	10.23	2 ^hrs 21 ^mins
6	GeForce RTX 3070 Ti GA104 [GeForce RTX 3070 Ti]	Nvidia	GA104	4,313,474	424,319	10.17	2 ^hrs 22 ^mins
7	GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448	Nvidia	TU102	4,274,458	423,805	10.09	2 ^hrs 23 ^mins
8	GeForce RTX 3070 GA104 [GeForce RTX 3070]	Nvidia	GA104	3,300,205	388,307	8.50	2 ^hrs 49 ^mins
9	GeForce RTX 2080 TU104 [GeForce RTX 2080]	Nvidia	TU104	2,959,066	375,452	7.88	3 ^hrs 3 ^mins
10	GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti]	Nvidia	GA104	2,845,040	369,819	7.69	3 ^hrs 7 ^mins
11	GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068	Nvidia	TU104	2,844,449	370,166	7.68	3 ^hrs 7 ^mins
12	GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218	Nvidia	TU104	2,774,686	361,419	7.68	3 ^hrs 8 ^mins
13	GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER]	Nvidia	TU104	2,479,367	350,673	7.07	3 ^hrs 24 ^mins
14	GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465	Nvidia	TU106	2,255,836	325,688	6.93	3 ^hrs 28 ^mins
15	GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER]	Nvidia	TU106	2,223,690	341,364	6.51	3 ^hrs 41 ^mins
16	GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380	Nvidia	GP102	2,173,103	333,218	6.52	3 ^hrs 41 ^mins
17	TITAN Xp GP102 [TITAN Xp] 12150	Nvidia	GP102	2,103,929	335,218	6.28	3 ^hrs 49 ^mins
18	GeForce RTX 2070 TU106 [GeForce RTX 2070] M 6497	Nvidia	TU106	2,069,210	333,160	6.21	3 ^hrs 52 ^mins
19	Radeon RX 6800/6800 XT / 6900 XT Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]	AMD	Navi 21	2,052,159	331,422	6.19	3 ^hrs 53 ^mins

20	GeForce RTX 3060 GA106 [GeForce RTX 3060]	Nvidia	GA106	1,852,674	321,096	5.77	4 ^hrs 10 ^mins
21	GeForce RTX 2060 TU106 [Geforce RTX 2060]	Nvidia	TU106	1,805,532	318,454	5.67	4 ^hrs 14 ^mins
22	GeForce RTX 2060 TU104 [GeForce RTX 2060]	Nvidia	TU104	1,694,199	305,018	5.55	4 ^hrs 19 ^mins
23	GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873	Nvidia	GP104	1,417,839	290,460	4.88	4 ^hrs 55 ^mins
24	Radeon RX 6700/6700 XT / 6800M Navi 22 [Radeon RX 6700/6700 XT / 6800M]	AMD	Navi 22	1,238,665	276,777	4.48	5 ^hrs 22 ^mins
25	GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463	Nvidia	GP104	1,214,143	278,782	4.36	5 ^hrs 31 ^mins
26	GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186	Nvidia	GP104	1,194,841	263,926	4.53	5 ^hrs 18 ^mins
27	Radeon RX 5600 OEM/5600 XT/5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]	AMD	Navi 10	1,181,242	276,120	4.28	5 ^hrs 37 ^mins
28	GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER]	Nvidia	TU116	1,086,796	266,771	4.07	5 ^hrs 53 ^mins
29	Tesla M40 GM200GL [Tesla M40] 6844	Nvidia	GM200GL	1,024,629	263,164	3.89	6 ^hrs 10 ^mins
30	GeForce RTX 3070 Mobile / Max-Q 8GB/16GB GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]	Nvidia	GA104M	1,003,592	262,174	3.83	6 ^hrs 16 ^mins
31	GeForce GTX 1660 TU116 [GeForce GTX 1660]	Nvidia	TU116	947,627	256,705	3.69	6 ^hrs 30 ^mins
32	GeForce RTX 2060 Mobile TU106M [GeForce RTX 2060 Mobile]	Nvidia	TU106M	931,817	204,417	4.56	5 ^hrs 16 ^mins
33	P104-100 GP104 [P104-100]	Nvidia	GP104	851,214	247,844	3.43	6 ^hrs 59 ^mins
34	GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372	Nvidia	GP106	760,007	238,783	3.18	7 ^hrs 32 ^mins
35	P106-100 GP106 [P106-100]	Nvidia	GP106	544,948	213,714	2.55	9 ^hrs 25 ^mins
36	GeForce GTX 970 GM204 [GeForce GTX 970] 3494	Nvidia	GM204	526,847	211,188	2.49	9 ^hrs 37 ^mins
37	GeForce GTX 1650 SUPER TU116 [GeForce GTX 1650 SUPER]	Nvidia	TU116	496,000	191,504	2.59	9 ^hrs 16 ^mins
38	GeForce GTX 1650 Ti Mobile TU116M [GeForce GTX 1650 Ti Mobile]	Nvidia	TU116M	486,050	205,723	2.36	10 ^hrs 9 ^mins
39	GeForce GTX 1650 TU116 [GeForce GTX 1650] 2984	Nvidia	TU116	459,715	201,775	2.28	10 ^hrs 32 ^mins

40	GeForce GTX 1650 Mobile / Max-Q TU117M [GeForce GTX 1650 Mobile / Max-Q]	Nvidia	TU117M	336,104	181,661	1.85	12 ^hrs 58 ^mins
41	GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935	Nvidia	GP106	321,492	167,541	1.92	12 ^hrs 30 ^mins
42	GeForce GTX 1050 Ti Mobile GP107M [GeForce GTX 1050 Ti Mobile]	Nvidia	GP107M	258,463	167,036	1.55	15 ^hrs 31 ^mins
43	GeForce GTX 660 Ti GK104 [GeForce GTX 660 Ti] 2634	Nvidia	GK104	213,964	155,957	1.37	17 ^hrs 30 ^mins
44	GeForce GTX 690 GK104 [GeForce GTX 690] 3130	Nvidia	GK104	147,512	103,818	1.42	16 ^hrs 53 ^mins
45	Quadro K2200 GM107GL [Quadro K2200]	Nvidia	GM107GL	131,640	133,253	0.99	24 ^hrs 18 ^mins
46	GeForce GTX 750 Ti GM107 [GeForce GTX 750 Ti] 1389	Nvidia	GM107	129,954	132,612	0.98	24 ^hrs 29 ^mins
47	GeForce GTX 660 GK106 [GeForce GTX 660]	Nvidia	GK106	127,429	131,729	0.97	24 ^hrs 49 ^mins
48	GeForce GT 1030 GP108 [GeForce GT 1030] 1127	Nvidia	GP108	115,225	127,373	0.90	26 ^hrs 32 ^mins
49	Quadro K1200 GM107GL [Quadro K1200]	Nvidia	GM107GL	93,580	118,830	0.79	30 ^hrs 29 ^mins
50	GeForce GTX 960M GM107 [GeForce GTX 960M] 1439	Nvidia	GM107	66,114	79,090	0.84	28 ^hrs 43 ^mins

Research: COVID-19 Folding Project #16607

Project Summary AI Beta

Project team

Work unit

Official Project Description

Hardware Performance for Project 16607

GPU PPD Averages

Research: COVID-19 Folding Project #16607

Project Summary AI Beta

Project team

Work unit

Related projects

GPU PPD Averages