Folding project #14909, COVID-19 research

Research section Research projects and references

Project #14909 overview

Project Summary AI Beta

This project studies how the SARS-CoV-2 virus attaches to human cells. By simulating the interaction between the virus and a protein called ACE2, researchers hope to understand how the virus works and find ways to stop it. The long-term goal is to use this knowledge to develop new treatments for diseases.

Automated summary; simplified and may not be fully accurate.

Project team

Manager(s): Matthew Chan
Institution: University of Illinois at Urbana-Champaign

Work unit

Atoms: 169,725
Core: OPENMM_22
Status: Public

Source material

Official Project Description

COVID-19 PROJECT This system is the solvated human ACE2 (Angiotension-converting enzyme 2) and the RBD (receptor-binding domain) complex involved in SARS-CoV-2 transfection.

These simulations will allow us to understand the major interactions responsible for binding of these proteins and how the protein behave in the body. The long-term reseaerch goal of the Shukla group is to combine theory, computation, and experiments to develop quantitative models of biological phenomena relevant for health, energy, and climate change.

Under the broad umbrella of molecular engineering and sciences, our research program is focused on developing a platform for understanding regulation of protein function such as elucidating mechanistic insights to regulat plant growth and development in context of global climate change.

We integrate ideas from a wide range of disciplines tied together by a vision of "dynamic" biology and its role in engineering products for human health, energy, and climate change.

https://shuklagroup.org/.

Reading reference

Related Terms Glossary AI Beta

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

COVID-19

A highly contagious respiratory illness caused by a novel coronavirus.

Technical: HealthcareMedicine / Infectious Diseases

COVID-19 is a respiratory disease caused by the SARS-CoV-2 virus. It can cause a range of symptoms from mild to severe, including fever, cough, shortness of breath, and loss of taste or smell. The disease can lead to complications such as pneumonia, acute respiratory distress syndrome (ARDS), and multi-organ failure. Vaccines and antiviral medications are available to help prevent and treat COVID-19.

ACE2

Angiotensin-converting enzyme 2

Scientific: PharmaceuticalsMedicine / Cardiology, Immunology

ACE2 is a protein found on the surface of many cells in the body, including those in the lungs and heart. It plays a role in regulating blood pressure and fluid balance. The SARS-CoV-2 virus uses ACE2 as a receptor to enter cells, leading to infection.

RBD

Receptor-binding domain

Scientific: BiotechnologyMedicine / Virology

The RBD is a region on the spike protein of the SARS-CoV-2 virus that binds to the ACE2 receptor on human cells. This binding allows the virus to enter and infect cells.

SARS-CoV-2

Severe acute respiratory syndrome coronavirus 2

Scientific: HealthcareMedicine / Infectious Diseases

SARS-CoV-2 is a virus that causes the disease COVID-19. It is a type of coronavirus that emerged in late 2019 and spread rapidly around the world.

Transfection

The process of introducing foreign DNA into cells.

Scientific: ResearchBiotechnology / Molecular Biology

Transfection is a laboratory technique used to introduce genetic material (DNA or RNA) into cells. It is widely used in research to study gene function, develop new therapies, and produce proteins for various applications.

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	6,658,350	357,818	18.61	1 ^hrs 17 ^mins
2	Tesla V100 SXM2 16GB GV100GL [Tesla V100 SXM2 16GB] M 14899	Nvidia	GV100GL	5,007,340	330,117	15.17	1 ^hrs 35 ^mins
3	GeForce RTX 3080 10GB / 20GB GA102 [GeForce RTX 3080 10GB / 20GB]	Nvidia	GA102	4,994,740	323,054	15.46	1 ^hrs 33 ^mins
4	TITAN RTX TU102 [TITAN RTX] 16310	Nvidia	TU102	4,864,172	325,779	14.93	1 ^hrs 36 ^mins
5	GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448	Nvidia	TU102	4,700,885	320,975	14.65	1 ^hrs 38 ^mins
6	GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448	Nvidia	TU102	3,756,416	296,737	12.66	1 ^hrs 54 ^mins
7	GeForce RTX 3070 GA104 [GeForce RTX 3070]	Nvidia	GA104	3,470,558	289,655	11.98	2 ^hrs 0 ^mins
8	GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068	Nvidia	TU104	3,270,595	286,522	11.41	2 ^hrs 6 ^mins
9	Quadro RTX 6000/8000 TU102GL [Quadro RTX 6000/8000]	Nvidia	TU102GL	3,086,677	281,177	10.98	2 ^hrs 11 ^mins
10	GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER]	Nvidia	TU104	3,026,009	276,570	10.94	2 ^hrs 12 ^mins
11	GeForce RTX 2080 TU104 [GeForce RTX 2080]	Nvidia	TU104	2,896,824	274,081	10.57	2 ^hrs 16 ^mins
12	TITAN Xp GP102 [TITAN Xp] 12150	Nvidia	GP102	2,807,034	271,750	10.33	2 ^hrs 19 ^mins
13	GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti]	Nvidia	GA104	2,631,788	258,956	10.16	2 ^hrs 22 ^mins
14	GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER]	Nvidia	TU104	2,615,745	265,393	9.86	2 ^hrs 26 ^mins
15	GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218	Nvidia	TU104	2,614,308	263,409	9.92	2 ^hrs 25 ^mins
16	GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380	Nvidia	GP102	2,287,556	252,663	9.05	2 ^hrs 39 ^mins
17	GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465	Nvidia	TU106	2,246,263	250,618	8.96	2 ^hrs 41 ^mins
18	GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER]	Nvidia	TU106	2,008,192	242,449	8.28	2 ^hrs 54 ^mins
19	GeForce RTX 2080 SUPER Mobile / Max-Q TU104M [GeForce RTX 2080 SUPER Mobile / Max-Q]	Nvidia	TU104M	1,961,007	241,778	8.11	2 ^hrs 58 ^mins

20	GeForce RTX 2060 KO TU106-200A [GeForce RTX 2060]	Nvidia	TU106-200A	1,877,399	237,813	7.89	3 ^hrs 2 ^mins
21	GeForce RTX 2060 TU104 [GeForce RTX 2060]	Nvidia	TU104	1,771,673	232,057	7.63	3 ^hrs 9 ^mins
22	Quadro RTX 4000 TU104GL [Quadro RTX 4000]	Nvidia	TU104GL	1,748,849	230,974	7.57	3 ^hrs 10 ^mins
23	GeForce RTX 2070 TU106 [GeForce RTX 2070] M 6497	Nvidia	TU106	1,698,275	223,723	7.59	3 ^hrs 10 ^mins
24	GeForce RTX 2060 TU106 [Geforce RTX 2060]	Nvidia	TU106	1,669,373	227,553	7.34	3 ^hrs 16 ^mins
25	Radeon VII Vega 20 [Radeon VII] 13,284	AMD	Vega 20	1,528,678	221,788	6.89	3 ^hrs 29 ^mins
26	GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873	Nvidia	GP104	1,375,147	211,138	6.51	3 ^hrs 41 ^mins
27	GeForce GTX Titan X GM200 [GeForce GTX Titan X] 6144	Nvidia	GM200	1,356,884	213,151	6.37	3 ^hrs 46 ^mins
28	GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186	Nvidia	GP104	1,288,234	209,579	6.15	3 ^hrs 54 ^mins
29	GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463	Nvidia	GP104	1,188,178	203,491	5.84	4 ^hrs 7 ^mins
30	GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER]	Nvidia	TU116	1,140,931	201,162	5.67	4 ^hrs 14 ^mins
31	GeForce GTX 980 Ti GM200 [GeForce GTX 980 Ti] 5632	Nvidia	GM200	1,086,712	197,537	5.50	4 ^hrs 22 ^mins
32	Radeon RX Vega 56/64 Vega 10 XL/XT [Radeon RX Vega 56/64]	AMD	Vega 10 XL/XT	1,031,104	190,790	5.40	4 ^hrs 26 ^mins
33	Tesla T4 TU104GL [Tesla T4] 8141	Nvidia	TU104GL	1,020,685	192,642	5.30	4 ^hrs 32 ^mins
34	Radeon RX 5600/5600 XT - 5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT / 5700/5700 XT]	AMD	Navi 10	1,009,882	191,003	5.29	4 ^hrs 32 ^mins
35	GeForce GTX 1660 Ti TU116 [GeForce GTX 1660 Ti]	Nvidia	TU116	925,782	187,055	4.95	4 ^hrs 51 ^mins
36	GeForce RTX 2060 Mobile / Max-Q TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550	Nvidia	TU106M	920,137	187,037	4.92	4 ^hrs 53 ^mins
37	GeForce GTX 1070 Mobile GP104M [GeForce GTX 1070 Mobile]	Nvidia	GP104M	908,065	171,301	5.30	4 ^hrs 32 ^mins
38	Radeon RX 5600 OEM/5600 XT/5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]	AMD	Navi 10	887,718	179,860	4.94	4 ^hrs 52 ^mins
39	GeForce GTX 980 GM204 [GeForce GTX 980] 4612	Nvidia	GM204	756,321	173,426	4.36	5 ^hrs 30 ^mins

40	GeForce GTX 1660 TU116 [GeForce GTX 1660]	Nvidia	TU116	750,042	165,325	4.54	5 ^hrs 17 ^mins
41	P104-100 GP104 [P104-100]	Nvidia	GP104	685,553	169,854	4.04	5 ^hrs 57 ^mins
42	GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372	Nvidia	GP106	679,437	164,723	4.12	5 ^hrs 49 ^mins
43	GeForce GTX 780 Ti GK110 [GeForce GTX 780 Ti] 5046	Nvidia	GK110	624,227	164,947	3.78	6 ^hrs 21 ^mins
44	GeForce GTX 970 GM204 [GeForce GTX 970] 3494	Nvidia	GM204	620,104	164,334	3.77	6 ^hrs 22 ^mins
45	GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935	Nvidia	GP106	609,967	163,155	3.74	6 ^hrs 25 ^mins
46	GeForce GTX 1650 SUPER TU116 [GeForce GTX 1650 SUPER]	Nvidia	TU116	555,144	154,101	3.60	6 ^hrs 40 ^mins
47	GeForce GTX 1650 Ti Mobile TU116M [GeForce GTX 1650 Ti Mobile]	Nvidia	TU116M	538,843	157,024	3.43	6 ^hrs 60 ^mins
48	Radeon R9 Fury X Fiji XT [Radeon R9 Fury X]	AMD	Fiji XT	497,808	147,831	3.37	7 ^hrs 8 ^mins
49	P106-100 GP106 [P106-100]	Nvidia	GP106	485,828	151,389	3.21	7 ^hrs 29 ^mins
50	GeForce GTX 1650 TU116 [GeForce GTX 1650] 2984	Nvidia	TU116	484,239	150,654	3.21	7 ^hrs 28 ^mins
51	GeForce GTX 1650 Mobile / Max-Q TU117M [GeForce GTX 1650 Mobile / Max-Q]	Nvidia	TU117M	460,261	149,039	3.09	7 ^hrs 46 ^mins
52	Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590]	AMD	Ellesmere XT	422,839	140,964	3.00	8 ^hrs 0 ^mins
53	GeForce GTX 460 v2 GF114 [GeForce GTX 460 v2] 1045.6	Nvidia	GF114	401,752	121,514	3.31	7 ^hrs 16 ^mins
54	Radeon R9 200/300X Series Hawaii [Radeon R9 200/300X Series]	AMD	Hawaii	388,585	140,352	2.77	8 ^hrs 40 ^mins
55	Radeon R9 200/300 Series Hawaii [Radeon R9 200/300 Series]	AMD	Hawaii	378,123	136,827	2.76	8 ^hrs 41 ^mins
56	Radeon RX 5500/5500M / Pro 5500M Navi 14 [Radeon RX 5500/5500M / Pro 5500M]	AMD	Navi 14	377,177	141,511	2.67	9 ^hrs 0 ^mins
57	GeForce GTX 1050 Ti GP107 [GeForce GTX 1050 Ti] 2138	Nvidia	GP107	328,222	131,584	2.49	9 ^hrs 37 ^mins
58	P106-090 GP106 [P106-090]	Nvidia	GP106	305,378	129,817	2.35	10 ^hrs 12 ^mins
59	GeForce GTX 1050 LP GP107 [GeForce GTX 1050 LP] 1862	Nvidia	GP107	299,984	129,160	2.32	10 ^hrs 20 ^mins

60	GeForce GTX 960 GM206 [GeForce GTX 960] 2308	Nvidia	GM206	286,822	127,373	2.25	10 ^hrs 39 ^mins
61	Quadro T1000 Mobile TU117GLM [Quadro T1000 Mobile]	Nvidia	TU117GLM	284,881	125,999	2.26	10 ^hrs 37 ^mins
62	GeForce GTX 1050 Mobile GP107M [GeForce GTX 1050 Mobile]	Nvidia	GP107M	262,714	123,072	2.13	11 ^hrs 15 ^mins
63	Quadro P1000 GP107GL [Quadro P1000]	Nvidia	GP107GL	214,443	115,834	1.85	12 ^hrs 58 ^mins
64	GeForce GTX 660 Ti GK104 [GeForce GTX 660 Ti] 2634	Nvidia	GK104	202,563	112,439	1.80	13 ^hrs 19 ^mins
65	Radeon R9 280/HD 7900/8950 Tahiti PRO [Radeon R9 280/HD 7900/8950]	AMD	Tahiti PRO	190,013	106,788	1.78	13 ^hrs 29 ^mins
66	Radeon R9 200 Series Hawaii [Radeon R9 200 Series]	AMD	Hawaii	181,449	109,157	1.66	14 ^hrs 26 ^mins
67	GeForce GTX 750 Ti GM107 [GeForce GTX 750 Ti] 1389	Nvidia	GM107	160,729	104,798	1.53	15 ^hrs 39 ^mins
68	Quadro P620 GP107GL [Quadro P620]	Nvidia	GP107GL	150,398	102,369	1.47	16 ^hrs 20 ^mins
69	Radeon RX 460 Baffin XT [Radeon RX 460]	AMD	Baffin XT	134,755	93,498	1.44	16 ^hrs 39 ^mins
70	Radeon HD 7800 Pitcairn [Radeon HD 7800]	AMD	Pitcairn	133,348	98,517	1.35	17 ^hrs 44 ^mins
71	Polaris11 Baffin [Polaris11]	AMD	Baffin	115,370	93,411	1.24	19 ^hrs 26 ^mins
72	GeForce GTX 670MX GK106 [GeForce GTX 670MX]	Nvidia	GK106	108,772	91,553	1.19	20 ^hrs 12 ^mins
73	GeForce GTX 680 GK104 [GeForce GTX 680] 3250	Nvidia	GK104	106,839	91,532	1.17	20 ^hrs 34 ^mins
74	Radeon HD 7790 Bonaire XT [Radeon HD 7790]	AMD	Bonaire XT	103,002	90,366	1.14	21 ^hrs 3 ^mins
75	Radeon RX Vega M XL [Radeon RX Vega M XL]	AMD	Vega	102,943	76,858	1.34	17 ^hrs 55 ^mins
76	GeForce GT 1030 GP108 [GeForce GT 1030] 1127	Nvidia	GP108	99,532	89,341	1.11	21 ^hrs 33 ^mins
77	GeForce GTX 760 GK104 [GeForce GTX 760] 2258	Nvidia	GK104	96,237	87,414	1.10	21 ^hrs 48 ^mins
78	GeForce GTX 960M GM107 [GeForce GTX 960M] 1439	Nvidia	GM107	93,015	75,643	1.23	19 ^hrs 31 ^mins
79	Quadro K1200 GM107GL [Quadro K1200]	Nvidia	GM107GL	92,499	87,281	1.06	22 ^hrs 39 ^mins

80	Quadro K620 GM107GL [Quadro K620]	Nvidia	GM107GL	60,607	75,916	0.80	30 ^hrs 4 ^mins
81	Ryzen vega 8 mobile Raven [Ryzen vega 8 mobile]	AMD	Raven	60,383	72,828	0.83	28 ^hrs 57 ^mins
82	Radeon R7 250X/HD 7700/8760 R575A [Radeon R7 250X/HD 7700/8760]	AMD	R575A	52,588	69,043	0.76	31 ^hrs 31 ^mins
83	GeForce GTX 560 Ti GF114 [GeForce GTX 560 Ti]	Nvidia	GF114	39,187	65,604	0.60	40 ^hrs 11 ^mins
84	Radeon R7 250/HD 7700 R575A [Radeon R7 250/HD 7700]	AMD	R575A	34,824	60,554	0.58	41 ^hrs 44 ^mins
85	GeForce MX250 GP108M [GeForce MX250]	Nvidia	GP108M	29,865	43,900	0.68	35 ^hrs 17 ^mins
86	Radeon RX Vega gfx902 raven [Radeon RX Vega gfx902]	AMD	raven	27,717	52,185	0.53	45 ^hrs 11 ^mins
87	GeForce GT 640 GK107 [GeForce GT 640] 693	Nvidia	GK107	19,918	43,900	0.45	52 ^hrs 54 ^mins
88	GeForce GTX 650 GK107 [GeForce GTX 650] 812	Nvidia	GK107	18,306	43,900	0.42	57 ^hrs 33 ^mins
89	GeForce GTX 550 Ti GF116 [GeForce GTX 550 Ti] 691	Nvidia	GF116	16,584	43,900	0.38	63 ^hrs 32 ^mins
90	GeForce GT 710 GK208B [GeForce GT 710] 366	Nvidia	GK208B	12,009	43,900	0.27	87 ^hrs 44 ^mins

Research: COVID-19 Folding Project #14909

Project Summary AI Beta

Project team

Work unit

Official Project Description

Hardware Performance for Project 14909

GPU PPD Averages

Research: COVID-19 Folding Project #14909

Project Summary AI Beta

Project team

Work unit

Related projects

GPU PPD Averages