Folding project #16608, COVID-19 research

Research section Research projects and references

Project #16608 overview

Project Summary AI Beta

This project uses computer simulations to study how SARS-CoV-2's nsp12 and nsp14 proteins work. They want to find existing drugs that can block these proteins and stop the virus from replicating.

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: 473,039
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. 16608: RdRp and helicase of SARS-CoV-2 in complex with dsRNA 16609: RdRp and helicase of SARS-CoV-2 in complex with dsRNA.

Reading reference

Related Terms Glossary AI Beta

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

Nonstructural protein 12

A protein essential for viral replication.

Technical: BiotechnologyVirology / SARS-CoV-2

Nonstructural protein 12 (nsp12) is a key enzyme in the SARS-CoV-2 virus. It's responsible for copying the virus's RNA, which is crucial for making new copies of the virus.

Nonstructural protein 14

A protein involved in proofreading viral RNA replication.

Technical: BiotechnologyVirology / SARS-CoV-2

Nonstructural protein 14 (nsp14) acts like a quality control mechanism for the SARS-CoV-2 virus. It helps ensure that the newly made copies of the virus's RNA are accurate.

RdRp

RNA-dependent RNA polymerase

Acronym: BiotechnologyVirology / SARS-CoV-2

RdRp is a type of enzyme that copies RNA. It's essential for viruses like SARS-CoV-2 to replicate their genetic material.

Helicase

An enzyme that unwinds DNA or RNA.

Technical: BiotechnologyVirology / SARS-CoV-2

Helicases are like molecular zippers, separating the two strands of DNA or RNA. This is important for many processes within cells, including viral replication.

dsRNA

Double-stranded RNA

Acronym: BiotechnologyVirology / SARS-CoV-2

dsRNA is a type of RNA molecule that consists of two strands. It's often involved in viral replication and can trigger immune responses.

Cladribine

A synthetic nucleoside analog used to treat multiple sclerosis.

Technical: BiotechnologyPharmacology / Antiviral Drugs

Cladribine is a medication that works by interfering with the activity of certain immune cells. It's primarily used to manage multiple sclerosis but has also been investigated for its potential antiviral properties.

Ribirine

A nucleoside analog used in the treatment of certain viral infections.

Technical: BiotechnologyPharmacology / Antiviral Drugs

Ribirine is a drug that works by interfering with the replication process of viruses. It's been used to treat various viral infections and is structurally similar to other antiviral medications.

NTP analog

A molecule that mimics the structure of nucleotides (building blocks of DNA and RNA) and can interfere with viral replication.

Technical: BiotechnologyPharmacology / Antiviral Drugs

NTP analogs are drugs designed to disrupt the replication process of viruses. They resemble the building blocks of genetic material but cannot be properly incorporated into new viral DNA or RNA, halting replication.

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	7,336,681	664,074	11.05	2 ^hrs 10 ^mins
2	GeForce RTX 3080 Ti GA102 [GeForce RTX 3080 Ti]	Nvidia	GA102	7,211,856	665,498	10.84	2 ^hrs 13 ^mins
3	GeForce RTX 3080 Lite Hash Rate GA102 [GeForce RTX 3080 Lite Hash Rate]	Nvidia	GA102	6,103,081	615,965	9.91	2 ^hrs 25 ^mins
4	GeForce RTX 3080 GA102 [GeForce RTX 3080]	Nvidia	GA102	5,378,328	599,735	8.97	2 ^hrs 41 ^mins
5	GeForce RTX 3070 Ti GA104 [GeForce RTX 3070 Ti]	Nvidia	GA104	4,977,254	585,996	8.49	2 ^hrs 50 ^mins
6	GeForce RTX 3070 Lite Hash Rate GA104 [GeForce RTX 3070 Lite Hash Rate]	Nvidia	GA104	4,508,987	572,180	7.88	3 ^hrs 3 ^mins
7	GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448	Nvidia	TU102	4,451,109	568,858	7.82	3 ^hrs 4 ^mins
8	Radeon RX 6800/6800 XT / 6900 XT Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]	AMD	Navi 21	4,263,722	557,832	7.64	3 ^hrs 8 ^mins
9	GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448	Nvidia	TU102	4,085,737	543,687	7.51	3 ^hrs 12 ^mins
10	GeForce RTX 3070 GA104 [GeForce RTX 3070]	Nvidia	GA104	3,858,622	537,456	7.18	3 ^hrs 21 ^mins
11	GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti]	Nvidia	GA104	3,435,001	523,110	6.57	3 ^hrs 39 ^mins
12	GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068	Nvidia	TU104	3,038,924	502,108	6.05	3 ^hrs 58 ^mins
13	GeForce RTX 3060 Ti Lite Hash Rate GA104 [GeForce RTX 3060 Ti Lite Hash Rate]	Nvidia	GA104	3,021,542	500,573	6.04	3 ^hrs 59 ^mins
14	TITAN Xp GP102 [TITAN Xp] 12150	Nvidia	GP102	2,942,433	496,698	5.92	4 ^hrs 3 ^mins
15	GeForce RTX 3070 Mobile / Max-Q 8GB/16GB GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]	Nvidia	GA104M	2,890,176	493,451	5.86	4 ^hrs 6 ^mins
16	GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER]	Nvidia	TU104	2,858,315	491,711	5.81	4 ^hrs 8 ^mins
17	Radeon RX 6900 XT Navi 21 [Radeon RX 6900 XT]	AMD	Navi 21	2,853,766	486,577	5.86	4 ^hrs 6 ^mins
18	GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218	Nvidia	TU104	2,705,048	480,723	5.63	4 ^hrs 16 ^mins
19	GeForce RTX 2080 TU104 [GeForce RTX 2080]	Nvidia	TU104	2,701,873	482,125	5.60	4 ^hrs 17 ^mins

20	GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465	Nvidia	TU106	2,618,296	477,438	5.48	4 ^hrs 23 ^mins
21	GeForce RTX 3060 GA106 [GeForce RTX 3060]	Nvidia	GA106	2,528,673	472,543	5.35	4 ^hrs 29 ^mins
22	GeForce RTX 3060 Lite Hash Rate GA106 [GeForce RTX 3060 Lite Hash Rate]	Nvidia	GA106	2,397,113	463,113	5.18	4 ^hrs 38 ^mins
23	GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER]	Nvidia	TU106	2,342,173	454,530	5.15	4 ^hrs 39 ^mins
24	GeForce RTX 2070 TU106 [GeForce RTX 2070] M 6497	Nvidia	TU106	2,335,464	460,511	5.07	4 ^hrs 44 ^mins
25	GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380	Nvidia	GP102	2,309,524	457,500	5.05	4 ^hrs 45 ^mins
26	TITAN X GP102 [TITAN X] 6144	Nvidia	GP102	2,204,132	451,394	4.88	4 ^hrs 55 ^mins
27	Radeon RX 6700/6700 XT / 6800M Navi 22 [Radeon RX 6700/6700 XT / 6800M]	AMD	Navi 22	2,197,993	450,267	4.88	4 ^hrs 55 ^mins
28	GeForce RTX 3060 Mobile / Max-Q GA106M [GeForce RTX 3060 Mobile / Max-Q]	Nvidia	GA106M	2,181,217	448,908	4.86	4 ^hrs 56 ^mins
29	Radeon VII Vega 20 [Radeon VII] 13,284	AMD	Vega 20	2,150,447	446,099	4.82	4 ^hrs 59 ^mins
30	GeForce RTX 2060 TU106 [Geforce RTX 2060]	Nvidia	TU106	1,922,076	429,949	4.47	5 ^hrs 22 ^mins
31	Tesla P40 GP102GL [Tesla P40] 11760	Nvidia	GP102GL	1,827,034	422,717	4.32	5 ^hrs 33 ^mins
32	GeForce RTX 2060 TU104 [GeForce RTX 2060]	Nvidia	TU104	1,720,192	414,990	4.15	5 ^hrs 47 ^mins
33	GeForce GTX 980 Ti GM200 [GeForce GTX 980 Ti] 5632	Nvidia	GM200	1,328,337	380,570	3.49	6 ^hrs 53 ^mins
34	GeForce RTX 2060 Mobile TU106M [GeForce RTX 2060 Mobile]	Nvidia	TU106M	1,313,831	378,344	3.47	6 ^hrs 55 ^mins
35	GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463	Nvidia	GP104	1,265,970	370,832	3.41	7 ^hrs 2 ^mins
36	GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER]	Nvidia	TU116	1,258,884	369,991	3.40	7 ^hrs 3 ^mins
37	Radeon RX 5600 OEM/5600 XT/5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]	AMD	Navi 10	1,258,470	373,370	3.37	7 ^hrs 7 ^mins
38	Radeon RX Vega 56/64 Vega 10 XL/XT [Radeon RX Vega 56/64]	AMD	Vega 10 XL/XT	1,251,431	371,429	3.37	7 ^hrs 7 ^mins
39	GeForce GTX 1660 Ti TU116 [GeForce GTX 1660 Ti]	Nvidia	TU116	1,230,527	369,153	3.33	7 ^hrs 12 ^mins

40	GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873	Nvidia	GP104	1,201,284	364,860	3.29	7 ^hrs 17 ^mins
41	GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186	Nvidia	GP104	1,198,469	365,675	3.28	7 ^hrs 19 ^mins
42	GeForce RTX 2060 Mobile / Max-Q TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550	Nvidia	TU106M	1,112,867	359,782	3.09	7 ^hrs 46 ^mins
43	GeForce GTX 1660 TU116 [GeForce GTX 1660]	Nvidia	TU116	1,013,081	348,168	2.91	8 ^hrs 15 ^mins
44	P104-100 GP104 [P104-100]	Nvidia	GP104	994,053	346,252	2.87	8 ^hrs 22 ^mins
45	GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372	Nvidia	GP106	804,195	313,237	2.57	9 ^hrs 21 ^mins
46	GeForce GTX 980 GM204 [GeForce GTX 980] 4612	Nvidia	GM204	783,803	318,501	2.46	9 ^hrs 45 ^mins
47	GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935	Nvidia	GP106	744,493	313,297	2.38	10 ^hrs 6 ^mins
48	Tesla P4 GP104GL [Tesla P4] 5704	Nvidia	GP104GL	722,002	308,681	2.34	10 ^hrs 16 ^mins
49	Radeon R9 Fury X Fiji XT [Radeon R9 Fury X]	AMD	Fiji XT	711,083	286,624	2.48	9 ^hrs 40 ^mins
50	P106-100 GP106 [P106-100]	Nvidia	GP106	669,506	303,508	2.21	10 ^hrs 53 ^mins
51	GeForce GTX 1060 Mobile GP106M [GeForce GTX 1060 Mobile]	Nvidia	GP106M	665,320	303,007	2.20	10 ^hrs 56 ^mins
52	GeForce GTX 1650 SUPER TU116 [GeForce GTX 1650 SUPER]	Nvidia	TU116	628,863	297,155	2.12	11 ^hrs 20 ^mins
53	GeForce GTX 1070 Mobile GP104BM [GeForce GTX 1070 Mobile] 6463	Nvidia	GP104BM	625,881	268,919	2.33	10 ^hrs 19 ^mins
54	GeForce GTX 970 GM204 [GeForce GTX 970] 3494	Nvidia	GM204	598,023	272,281	2.20	10 ^hrs 56 ^mins
55	GeForce GTX 1650 TU116 [GeForce GTX 1650] 2984	Nvidia	TU116	522,447	279,626	1.87	12 ^hrs 51 ^mins
56	Quadro T2000 Mobile / Max-Q TU117GLM [Quadro T2000 Mobile / Max-Q]	Nvidia	TU117GLM	509,148	276,477	1.84	13 ^hrs 2 ^mins
57	Quadro P2200 GP106GL [Quadro P2200]	Nvidia	GP106GL	502,105	275,850	1.82	13 ^hrs 11 ^mins
58	Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590]	AMD	Ellesmere XT	468,203	265,867	1.76	13 ^hrs 38 ^mins
59	GeForce GTX 1650 Mobile / Max-Q TU117M [GeForce GTX 1650 Mobile / Max-Q]	Nvidia	TU117M	466,246	266,050	1.75	13 ^hrs 42 ^mins

60	Radeon RX 5500/5500M / Pro 5500M Navi 14 [Radeon RX 5500/5500M / Pro 5500M]	AMD	Navi 14	438,637	261,908	1.67	14 ^hrs 20 ^mins
61	GeForce GTX 1650 TU117 [GeForce GTX 1650]	Nvidia	TU117	438,256	260,722	1.68	14 ^hrs 17 ^mins
62	P106-090 GP106 [P106-090]	Nvidia	GP106	339,676	242,209	1.40	17 ^hrs 7 ^mins
63	GeForce GTX 960 GM206 [GeForce GTX 960] 2308	Nvidia	GM206	304,015	231,900	1.31	18 ^hrs 18 ^mins
64	GeForce GTX 950 GM206 [GeForce GTX 950] 1572	Nvidia	GM206	297,337	230,320	1.29	18 ^hrs 35 ^mins
65	Radeon RX Vega M XL [Radeon RX Vega M XL]	AMD	Vega	198,685	185,062	1.07	22 ^hrs 21 ^mins
66	GeForce GTX 750 Ti GM107 [GeForce GTX 750 Ti] 1389	Nvidia	GM107	197,104	192,098	1.03	23 ^hrs 23 ^mins
67	GeForce GTX 1050 Ti Mobile GP107M [GeForce GTX 1050 Ti Mobile]	Nvidia	GP107M	175,044	193,581	0.90	26 ^hrs 32 ^mins
68	Quadro P620 GP107GL [Quadro P620]	Nvidia	GP107GL	174,394	193,953	0.90	26 ^hrs 42 ^mins
69	Tesla K20C GK110 [Tesla K20C] 3524	Nvidia	GK110	158,029	187,721	0.84	28 ^hrs 31 ^mins
70	GeForce GT 1030 GP108 [GeForce GT 1030] 1127	Nvidia	GP108	139,090	179,718	0.77	31 ^hrs 1 ^mins
71	GeForce GTX 690 GK104 [GeForce GTX 690] 3130	Nvidia	GK104	129,377	161,590	0.80	29 ^hrs 59 ^mins
72	Quadro P1000 GP107GL [Quadro P1000]	Nvidia	GP107GL	116,933	169,615	0.69	34 ^hrs 49 ^mins
73	Quadro K1200 GM107GL [Quadro K1200]	Nvidia	GM107GL	110,851	166,617	0.67	36 ^hrs 4 ^mins
74	GeForce GTX 960M GM107 [GeForce GTX 960M] 1439	Nvidia	GM107	106,060	125,196	0.85	28 ^hrs 20 ^mins
75	GeForce GTX 660 GK106 [GeForce GTX 660]	Nvidia	GK106	58,512	134,332	0.44	55 ^hrs 6 ^mins
76	FirePro W4100 Cape Verde GL [FirePro W4100]	AMD	Cape Verde GL	26,840	89,520	0.30	80 ^hrs 3 ^mins
77	GeForce 920M GK208 [GeForce 920M]	Nvidia	GK208	24,539	89,520	0.27	87 ^hrs 33 ^mins

Research: COVID-19 Folding Project #16608

Project Summary AI Beta

Project team

Work unit

Official Project Description

Hardware Performance for Project 16608

GPU PPD Averages

Research: COVID-19 Folding Project #16608

Project Summary AI Beta

Project team

Work unit

Related projects

GPU PPD Averages