Folding project #16606, COVID-19 research

Research section Research projects and references

Project #16606 overview

Project Summary AI Beta

This project uses computer simulations to study how certain antiviral drugs might block the replication of the SARS-CoV-2 virus. Scientists are looking at how these drugs interact with specific proteins (nsp12, nsp14) that are crucial for viral copying. The goal is to find existing medications that can be repurposed to treat 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: 208,201
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

A viral protein essential for RNA replication.

Technical: BiotechnologyMedicine / Virology

Nonstructural protein 12 (nsp12) is a key enzyme in the SARS-CoV-2 virus. It's responsible for copying the virus's genetic material, RNA. Researchers are studying nsp12 to develop new antiviral drugs that can stop the virus from replicating.

Nonstructural protein 14

A viral protein involved in RNA proofreading and replication.

Technical: BiotechnologyMedicine / Virology

Nonstructural protein 14 (nsp14) is another important protein found in the SARS-CoV-2 virus. It acts like a quality control mechanism, checking for errors during RNA replication. Scientists are exploring ways to target nsp14 to inhibit viral replication.

FDA

Food and Drug Administration

Acronym: PharmaceuticalsMedicine / Regulatory

The FDA is a US government agency responsible for ensuring the safety and effectiveness of medications, food, and other products.

NTP

Nucleoside Triphosphate Analog

Acronym: BiotechnologyMedicine / Pharmacology

NTP analogs are molecules that resemble the building blocks of RNA. They can be used as antiviral drugs to inhibit viral replication.

Ribirine

A nucleoside analog with antiviral properties.

Technical: BiotechnologyMedicine / Pharmacology

Ribirine is a type of drug that can interfere with viral replication. It's been studied for its potential use against various viruses.

SARS-CoV-2

Severe Acute Respiratory Syndrome Coronavirus 2

Technical: BiotechnologyMedicine / Virology

SARS-CoV-2 is the virus that causes COVID-19. It's a respiratory virus that can spread easily from person to person.

Cladribine

A nucleoside analog used in the treatment of certain types of cancer.

Technical: BiotechnologyMedicine / Pharmacology

Cladribine is a medication that interferes with DNA replication, making it useful for treating certain cancers. It's also being studied for its potential antiviral activity.

ATP

Adenosine Triphosphate

Acronym: BiotechnologyMedicine / Cellular Biology

ATP is the primary energy currency of cells. It's essential for many biological processes, including muscle contraction and nerve impulse transmission.

GTP

Guanosine Triphosphate

Acronym: BiotechnologyMedicine / Cellular Biology

GTP is a molecule similar to ATP that plays important roles in cellular processes, such as protein synthesis and signal transduction.

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	6,611,098	472,977	13.98	1 ^hrs 43 ^mins
2	GeForce RTX 3080 10GB / 20GB GA102 [GeForce RTX 3080 10GB / 20GB]	Nvidia	GA102	5,438,066	448,952	12.11	1 ^hrs 59 ^mins
3	GeForce RTX 3080 GA102 [GeForce RTX 3080]	Nvidia	GA102	5,128,796	440,459	11.64	2 ^hrs 4 ^mins
4	GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448	Nvidia	TU102	4,350,462	415,453	10.47	2 ^hrs 18 ^mins
5	GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448	Nvidia	TU102	3,981,359	404,692	9.84	2 ^hrs 26 ^mins
6	GeForce RTX 3070 GA104 [GeForce RTX 3070]	Nvidia	GA104	3,165,131	374,368	8.45	2 ^hrs 50 ^mins
7	GeForce RTX 2080 TU104 [GeForce RTX 2080]	Nvidia	TU104	2,801,117	360,336	7.77	3 ^hrs 5 ^mins
8	GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti]	Nvidia	GA104	2,788,563	359,566	7.76	3 ^hrs 6 ^mins
9	GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218	Nvidia	TU104	2,748,420	357,503	7.69	3 ^hrs 7 ^mins
10	GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068	Nvidia	TU104	2,704,644	355,815	7.60	3 ^hrs 9 ^mins
11	GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER]	Nvidia	TU104	2,602,114	350,588	7.42	3 ^hrs 14 ^mins
12	GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465	Nvidia	TU106	2,319,812	338,678	6.85	3 ^hrs 30 ^mins
13	GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380	Nvidia	GP102	2,232,390	333,626	6.69	3 ^hrs 35 ^mins
14	GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER]	Nvidia	TU106	2,190,376	332,429	6.59	3 ^hrs 39 ^mins
15	Radeon RX 6800/6800 XT / 6900 XT Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]	AMD	Navi 21	2,086,517	324,286	6.43	3 ^hrs 44 ^mins
16	TITAN Xp GP102 [TITAN Xp] 12150	Nvidia	GP102	2,037,845	324,467	6.28	3 ^hrs 49 ^mins
17	GeForce RTX 3060 GA106 [GeForce RTX 3060]	Nvidia	GA106	1,877,076	314,834	5.96	4 ^hrs 2 ^mins
18	GeForce RTX 3060 Mobile / Max-Q GA106M [GeForce RTX 3060 Mobile / Max-Q]	Nvidia	GA106M	1,822,035	314,450	5.79	4 ^hrs 9 ^mins
19	GeForce RTX 2060 TU104 [GeForce RTX 2060]	Nvidia	TU104	1,701,803	305,431	5.57	4 ^hrs 18 ^mins

20	Radeon RX 6700/6700 XT / 6800M Navi 22 [Radeon RX 6700/6700 XT / 6800M]	AMD	Navi 22	1,611,412	298,132	5.41	4 ^hrs 26 ^mins
21	GeForce RTX 2060 TU106 [Geforce RTX 2060]	Nvidia	TU106	1,550,420	289,992	5.35	4 ^hrs 29 ^mins
22	GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186	Nvidia	GP104	1,273,584	277,428	4.59	5 ^hrs 14 ^mins
23	GeForce GTX 980 Ti GM200 [GeForce GTX 980 Ti] 5632	Nvidia	GM200	1,248,340	275,067	4.54	5 ^hrs 17 ^mins
24	GeForce RTX 2060 Mobile TU106M [GeForce RTX 2060 Mobile]	Nvidia	TU106M	1,207,866	273,869	4.41	5 ^hrs 27 ^mins
25	Radeon RX 5600 OEM/5600 XT/5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]	AMD	Navi 10	1,131,679	265,863	4.26	5 ^hrs 38 ^mins
26	GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463	Nvidia	GP104	1,103,068	259,611	4.25	5 ^hrs 39 ^mins
27	Tesla M40 GM200GL [Tesla M40] 6844	Nvidia	GM200GL	991,309	255,340	3.88	6 ^hrs 11 ^mins
28	GeForce RTX 3070 Mobile / Max-Q 8GB/16GB GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]	Nvidia	GA104M	985,800	253,857	3.88	6 ^hrs 11 ^mins
29	Radeon RX Vega 56/64 Vega 10 XL/XT [Radeon RX Vega 56/64]	AMD	Vega 10 XL/XT	956,285	249,967	3.83	6 ^hrs 16 ^mins
30	GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER]	Nvidia	TU116	947,810	250,367	3.79	6 ^hrs 20 ^mins
31	GeForce GTX 1660 Ti TU116 [GeForce GTX 1660 Ti]	Nvidia	TU116	927,790	248,682	3.73	6 ^hrs 26 ^mins
32	GeForce GTX 1660 TU116 [GeForce GTX 1660]	Nvidia	TU116	858,923	241,221	3.56	6 ^hrs 44 ^mins
33	P104-100 GP104 [P104-100]	Nvidia	GP104	847,880	241,937	3.50	6 ^hrs 51 ^mins
34	GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372	Nvidia	GP106	801,876	237,885	3.37	7 ^hrs 7 ^mins
35	GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935	Nvidia	GP106	678,562	224,555	3.02	7 ^hrs 57 ^mins
36	Radeon R9 Fury X Fiji XT [Radeon R9 Fury X]	AMD	Fiji XT	571,801	192,188	2.98	8 ^hrs 4 ^mins
37	P106-100 GP106 [P106-100]	Nvidia	GP106	547,406	209,420	2.61	9 ^hrs 11 ^mins
38	GeForce GTX 1650 SUPER TU116 [GeForce GTX 1650 SUPER]	Nvidia	TU116	526,140	206,510	2.55	9 ^hrs 25 ^mins
39	GeForce GTX 970 GM204 [GeForce GTX 970] 3494	Nvidia	GM204	520,625	198,677	2.62	9 ^hrs 10 ^mins

40	Radeon R9 200/300 Series Hawaii [Radeon R9 200/300 Series]	AMD	Hawaii	520,413	200,441	2.60	9 ^hrs 15 ^mins
41	Quadro T2000 Mobile / Max-Q TU117GLM [Quadro T2000 Mobile / Max-Q]	Nvidia	TU117GLM	428,008	192,158	2.23	10 ^hrs 47 ^mins
42	GeForce GTX 1650 TU116 [GeForce GTX 1650] 2984	Nvidia	TU116	409,815	190,064	2.16	11 ^hrs 8 ^mins
43	GeForce GTX 1650 Mobile / Max-Q TU117M [GeForce GTX 1650 Mobile / Max-Q]	Nvidia	TU117M	409,454	189,520	2.16	11 ^hrs 7 ^mins
44	Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590]	AMD	Ellesmere XT	397,303	178,246	2.23	10 ^hrs 46 ^mins
45	Radeon R9 200/300X Series Hawaii [Radeon R9 200/300X Series]	AMD	Hawaii	393,217	187,537	2.10	11 ^hrs 27 ^mins
46	GeForce GTX 1050 LP GP107 [GeForce GTX 1050 LP] 1862	Nvidia	GP107	288,484	169,103	1.71	14 ^hrs 4 ^mins
47	GeForce GTX 960 GM206 [GeForce GTX 960] 2308	Nvidia	GM206	287,603	168,944	1.70	14 ^hrs 6 ^mins
48	Radeon R9 280/HD 7900/8950 Tahiti PRO [Radeon R9 280/HD 7900/8950]	AMD	Tahiti PRO	255,058	151,507	1.68	14 ^hrs 15 ^mins
49	GeForce GTX 660 Ti GK104 [GeForce GTX 660 Ti] 2634	Nvidia	GK104	209,897	151,755	1.38	17 ^hrs 21 ^mins
50	GeForce GTX 1050 Ti Mobile GP107M [GeForce GTX 1050 Ti Mobile]	Nvidia	GP107M	178,492	144,405	1.24	19 ^hrs 25 ^mins
51	Radeon RX Vega M XL [Radeon RX Vega M XL]	AMD	Vega	176,840	143,806	1.23	19 ^hrs 31 ^mins
52	GeForce GTX 660 GK106 [GeForce GTX 660]	Nvidia	GK106	134,028	129,134	1.04	23 ^hrs 7 ^mins
53	GeForce GTX 750 Ti GM107 [GeForce GTX 750 Ti] 1389	Nvidia	GM107	131,427	129,737	1.01	23 ^hrs 41 ^mins
54	Quadro K2200 GM107GL [Quadro K2200]	Nvidia	GM107GL	129,847	129,516	1.00	23 ^hrs 56 ^mins
55	Quadro K1200 GM107GL [Quadro K1200]	Nvidia	GM107GL	88,527	114,240	0.77	30 ^hrs 58 ^mins
56	GeForce GT 1030 GP108 [GeForce GT 1030] 1127	Nvidia	GP108	62,130	87,469	0.71	33 ^hrs 47 ^mins
57	Radeon R7 250/HD 7700 R575A [Radeon R7 250/HD 7700]	AMD	R575A	23,756	56,730	0.42	57 ^hrs 19 ^mins
58	Radeon RX Vega gfx902 raven [Radeon RX Vega gfx902]	AMD	raven	13,881	56,730	0.24	98 ^hrs 5 ^mins
59	GeForce GTX 670M GF114 [GeForce GTX 670M]	Nvidia	GF114	13,453	56,730	0.24	101 ^hrs 12 ^mins

Research: COVID-19 Folding Project #16606

Project Summary AI Beta

Project team

Work unit

Official Project Description

Hardware Performance for Project 16606

GPU PPD Averages

Research: COVID-19 Folding Project #16606

Project Summary AI Beta

Project team

Work unit

Related projects

GPU PPD Averages