Folding project #16604, COVID-19 research

Research section Research projects and references

Project #16604 overview

Project Summary AI Beta

This project uses computer simulations to study how SARS-CoV-2 proteins (nsp12, nsp14) interact with RNA and drugs. The goal is to find existing medications that can be repurposed to 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: 208,512
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.

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 replication.

Scientific: BiotechnologyVirus / SARS-CoV-2

Nonstructural protein 12 (nsp12) is a key enzyme within the SARS-CoV-2 virus responsible for replicating its genetic material. It plays a crucial role in the virus's ability to spread and cause infection.

Nonstructural protein 14

A viral protein involved in RNA proofreading.

Scientific: BiotechnologyVirus / SARS-CoV-2

Nonstructural protein 14 (nsp14) is a crucial enzyme within the SARS-CoV-2 virus that helps to correct errors during RNA replication. This proofreading function ensures the accuracy of the viral genetic code, which is essential for its survival and spread.

NTP analog

A molecule that resembles a natural nucleoside triphosphate (NTP) and can interfere with viral replication.

Scientific: PharmaceuticalMedicine / Drug development

Nucleoside triphosphate (NTP) analogs are molecules designed to mimic the structure of natural building blocks used by viruses during replication. By incorporating themselves into the growing viral DNA or RNA chain, these analogs can disrupt the process, effectively inhibiting viral growth.

Ribirine

A nucleoside analog with antiviral activity.

Scientific: PharmaceuticalMedicine / Drug repurposing

Ribirine is a nucleoside analog known to exhibit antiviral properties. It interferes with the replication of certain viruses by disrupting their ability to synthesize genetic material. Researchers are exploring its potential for repurposing as a treatment against various viral infections, including SARS-CoV-2.

FDA

Food and Drug Administration

Acronym: PharmaceuticalGovernment / Healthcare regulation

The Food and Drug Administration (FDA) is a federal agency responsible for regulating the safety and efficacy of drugs, biologics, medical devices, and other products marketed in the United States.

SARS-CoV-2

Severe acute respiratory syndrome coronavirus 2

Scientific: BiotechnologyVirus / Coronavirus

SARS-CoV-2 is the virus responsible for causing COVID-19. It's a type of coronavirus that primarily affects the respiratory system and can lead to severe illness, pneumonia, and in some cases, death.

Cladribine

A nucleoside analog with antiviral and immunosuppressive properties.

Scientific: PharmaceuticalMedicine / Immunosuppressant drug

Cladribine is a synthetic nucleoside analog that exhibits both antiviral and immunosuppressive effects. It's used in the treatment of certain types of leukemia and multiple sclerosis.

GTP

Guanosine triphosphate

Scientific: BiotechnologyMolecular biology / Nucleotides

GTP is a nucleotide involved in various cellular processes, including energy transfer, protein synthesis, and signal transduction.

ATP

Adenosine triphosphate

Scientific: BiotechnologyMolecular biology / Nucleotides

ATP is the primary energy currency of cells, providing energy for various cellular functions.

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	7,150,641	496,905	14.39	1 ^hrs 40 ^mins
2	GeForce RTX 3080 Ti GA102 [GeForce RTX 3080 Ti]	Nvidia	GA102	6,403,158	484,001	13.23	1 ^hrs 49 ^mins
3	GeForce RTX 3080 10GB / 20GB GA102 [GeForce RTX 3080 10GB / 20GB]	Nvidia	GA102	6,107,050	474,464	12.87	1 ^hrs 52 ^mins
4	GeForce RTX 3080 GA102 [GeForce RTX 3080]	Nvidia	GA102	5,358,495	456,198	11.75	2 ^hrs 3 ^mins
5	GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448	Nvidia	TU102	4,803,774	438,456	10.96	2 ^hrs 11 ^mins
6	Radeon RX 6900 XT Navi 21 [Radeon RX 6900 XT]	AMD	Navi 21	4,274,329	422,963	10.11	2 ^hrs 22 ^mins
7	GeForce RTX 3070 Ti GA104 [GeForce RTX 3070 Ti]	Nvidia	GA104	4,181,885	420,023	9.96	2 ^hrs 25 ^mins
8	GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448	Nvidia	TU102	4,093,161	415,911	9.84	2 ^hrs 26 ^mins
9	GeForce RTX 3070 GA104 [GeForce RTX 3070]	Nvidia	GA104	3,347,943	388,561	8.62	2 ^hrs 47 ^mins
10	GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218	Nvidia	TU104	2,923,069	370,800	7.88	3 ^hrs 3 ^mins
11	GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti]	Nvidia	GA104	2,898,948	369,300	7.85	3 ^hrs 3 ^mins
12	GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068	Nvidia	TU104	2,865,850	366,921	7.81	3 ^hrs 4 ^mins
13	GeForce RTX 2080 TU104 [GeForce RTX 2080]	Nvidia	TU104	2,777,919	348,600	7.97	3 ^hrs 1 ^mins
14	GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER]	Nvidia	TU104	2,457,635	351,138	7.00	3 ^hrs 26 ^mins
15	GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465	Nvidia	TU106	2,420,669	349,725	6.92	3 ^hrs 28 ^mins
16	GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380	Nvidia	GP102	2,354,057	346,443	6.79	3 ^hrs 32 ^mins
17	GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER]	Nvidia	TU106	2,271,424	342,542	6.63	3 ^hrs 37 ^mins
18	Radeon RX 6800/6800 XT / 6900 XT Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]	AMD	Navi 21	2,193,369	335,659	6.53	3 ^hrs 40 ^mins
19	GeForce RTX 3060 GA106 [GeForce RTX 3060]	Nvidia	GA106	2,069,492	329,878	6.27	3 ^hrs 50 ^mins

20	GeForce RTX 2060 TU104 [GeForce RTX 2060]	Nvidia	TU104	1,765,535	315,452	5.60	4 ^hrs 17 ^mins
21	GeForce RTX 2060 TU106 [Geforce RTX 2060]	Nvidia	TU106	1,748,585	314,561	5.56	4 ^hrs 19 ^mins
22	GeForce RTX 3060 Mobile / Max-Q GA106M [GeForce RTX 3060 Mobile / Max-Q]	Nvidia	GA106M	1,573,053	302,983	5.19	4 ^hrs 37 ^mins
23	GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186	Nvidia	GP104	1,282,690	282,626	4.54	5 ^hrs 17 ^mins
24	GeForce RTX 2060 Mobile TU106M [GeForce RTX 2060 Mobile]	Nvidia	TU106M	1,274,536	283,230	4.50	5 ^hrs 20 ^mins
25	GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463	Nvidia	GP104	1,248,396	280,637	4.45	5 ^hrs 24 ^mins
26	GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER]	Nvidia	TU116	1,153,858	273,163	4.22	5 ^hrs 41 ^mins
27	GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873	Nvidia	GP104	1,084,870	239,827	4.52	5 ^hrs 18 ^mins
28	Radeon RX 5600 OEM/5600 XT/5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]	AMD	Navi 10	1,066,640	264,563	4.03	5 ^hrs 57 ^mins
29	Tesla M40 GM200GL [Tesla M40] 6844	Nvidia	GM200GL	1,026,510	263,538	3.90	6 ^hrs 10 ^mins
30	GeForce GTX 1660 Ti TU116 [GeForce GTX 1660 Ti]	Nvidia	TU116	904,923	252,043	3.59	6 ^hrs 41 ^mins
31	GeForce GTX 1660 TU116 [GeForce GTX 1660]	Nvidia	TU116	886,775	250,176	3.54	6 ^hrs 46 ^mins
32	P104-100 GP104 [P104-100]	Nvidia	GP104	865,884	248,513	3.48	6 ^hrs 53 ^mins
33	Radeon RX Vega 56/64 Vega 10 XL/XT [Radeon RX Vega 56/64]	AMD	Vega 10 XL/XT	790,904	238,465	3.32	7 ^hrs 14 ^mins
34	GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372	Nvidia	GP106	744,709	235,239	3.17	7 ^hrs 35 ^mins
35	GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935	Nvidia	GP106	695,061	230,985	3.01	7 ^hrs 59 ^mins
36	GeForce GTX 970 GM204 [GeForce GTX 970] 3494	Nvidia	GM204	615,253	221,128	2.78	8 ^hrs 38 ^mins
37	GeForce GTX 1650 SUPER TU116 [GeForce GTX 1650 SUPER]	Nvidia	TU116	596,353	219,329	2.72	8 ^hrs 50 ^mins
38	P106-100 GP106 [P106-100]	Nvidia	GP106	563,455	215,348	2.62	9 ^hrs 10 ^mins
39	Radeon R9 Fury X Fiji XT [Radeon R9 Fury X]	AMD	Fiji XT	553,593	183,058	3.02	7 ^hrs 56 ^mins

40	Radeon R9 200/300 Series Hawaii [Radeon R9 200/300 Series]	AMD	Hawaii	522,804	205,698	2.54	9 ^hrs 27 ^mins
41	GeForce GTX 1650 Ti Mobile TU116M [GeForce GTX 1650 Ti Mobile]	Nvidia	TU116M	488,052	205,409	2.38	10 ^hrs 6 ^mins
42	Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590]	AMD	Ellesmere XT	434,577	192,014	2.26	10 ^hrs 36 ^mins
43	GeForce GTX 1650 TU116 [GeForce GTX 1650] 2984	Nvidia	TU116	426,482	193,388	2.21	10 ^hrs 53 ^mins
44	Radeon R9 200/300X Series Hawaii [Radeon R9 200/300X Series]	AMD	Hawaii	381,093	188,606	2.02	11 ^hrs 53 ^mins
45	GeForce GTX 1650 Mobile / Max-Q TU117M [GeForce GTX 1650 Mobile / Max-Q]	Nvidia	TU117M	310,845	171,783	1.81	13 ^hrs 16 ^mins
46	Radeon R9 280/HD 7900/8950 Tahiti PRO [Radeon R9 280/HD 7900/8950]	AMD	Tahiti PRO	285,058	171,293	1.66	14 ^hrs 25 ^mins
47	GeForce GTX 1050 Mobile GP107M [GeForce GTX 1050 Mobile]	Nvidia	GP107M	273,890	169,401	1.62	14 ^hrs 51 ^mins
48	GeForce GTX 1050 Ti Mobile GP107M [GeForce GTX 1050 Ti Mobile]	Nvidia	GP107M	255,474	165,455	1.54	15 ^hrs 33 ^mins
49	GeForce GTX 690 GK104 [GeForce GTX 690] 3130	Nvidia	GK104	229,724	159,830	1.44	16 ^hrs 42 ^mins
50	Radeon RX Vega M XL [Radeon RX Vega M XL]	AMD	Vega	176,523	146,495	1.20	19 ^hrs 55 ^mins
51	GeForce GTX 660 Ti GK104 [GeForce GTX 660 Ti] 2634	Nvidia	GK104	167,922	143,607	1.17	20 ^hrs 31 ^mins
52	Quadro P620 GP107GL [Quadro P620]	Nvidia	GP107GL	144,065	136,840	1.05	22 ^hrs 48 ^mins
53	GeForce GTX 660 GK106 [GeForce GTX 660]	Nvidia	GK106	141,119	136,039	1.04	23 ^hrs 8 ^mins
54	Radeon HD 7800 Pitcairn [Radeon HD 7800]	AMD	Pitcairn	140,114	135,581	1.03	23 ^hrs 13 ^mins
55	GeForce GTX 750 Ti GM107 [GeForce GTX 750 Ti] 1389	Nvidia	GM107	118,106	127,541	0.93	25 ^hrs 55 ^mins
56	GeForce GT 1030 GP108 [GeForce GT 1030] 1127	Nvidia	GP108	109,324	124,604	0.88	27 ^hrs 21 ^mins
57	Quadro K1200 GM107GL [Quadro K1200]	Nvidia	GM107GL	92,312	117,775	0.78	30 ^hrs 37 ^mins
58	Radeon RX Vega gfx902 raven [Radeon RX Vega gfx902]	AMD	raven	31,324	58,300	0.54	44 ^hrs 40 ^mins
59	Radeon R7 250/HD 7700 R575A [Radeon R7 250/HD 7700]	AMD	R575A	24,218	58,300	0.42	57 ^hrs 47 ^mins

60	Radeon RX 5500/5500M / Pro 5500M Navi 14 [Radeon RX 5500/5500M / Pro 5500M]	AMD	Navi 14	23,418	58,300	0.40	59 ^hrs 45 ^mins
61	GeForce 920M GK208 [GeForce 920M]	Nvidia	GK208	21,371	58,300	0.37	65 ^hrs 28 ^mins
62	GeForce GT 710 GK208B [GeForce GT 710] 366	Nvidia	GK208B	19,982	60,015	0.33	72 ^hrs 5 ^mins
63	Ryzen vega 8 mobile Raven [Ryzen vega 8 mobile]	AMD	Raven	17,225	58,300	0.30	81 ^hrs 14 ^mins
64	GeForce GTX 560 Ti GF114 [GeForce GTX 560 Ti]	Nvidia	GF114	11,181	58,300	0.19	125 ^hrs 8 ^mins

Research: COVID-19 Folding Project #16604

Project Summary AI Beta

Project team

Work unit

Official Project Description

Hardware Performance for Project 16604

GPU PPD Averages

Research: COVID-19 Folding Project #16604

Project Summary AI Beta

Project team

Work unit

Related projects

GPU PPD Averages