Folding project #14907, COVID-19 research

Research section Research projects and references

Project #14907 overview

Project Summary AI Beta

This project studies how the SARS-CoV-2 virus attaches to human cells. Scientists use computer simulations to understand the interactions between the virus and a protein called ACE2. This research could help develop new treatments for COVID-19 and other 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: 215,348
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

Coronavirus disease 2019

Disease: HealthcarePublic Health / Infectious Diseases

COVID-19 is a contagious respiratory illness caused by the SARS-CoV-2 virus. It can cause mild to severe symptoms, including fever, cough, shortness of breath, and loss of taste or smell.

ACE2

Angiotension-converting enzyme 2

Protein: BiotechnologyMedicine / Cardiology

ACE2 is a protein found on the surface of cells in many organs, including the lungs and heart. It plays a role in regulating blood pressure and other bodily functions.

SARS-CoV-2

Severe acute respiratory syndrome coronavirus 2

Virus: BiotechnologyMedicine / Infectious Diseases

SARS-CoV-2 is the virus that causes COVID-19. It spreads through respiratory droplets released when an infected person coughs, sneezes, or talks.

RBD

Receptor-binding domain

Protein Domain: BiotechnologyMedicine / Virology

The RBD is a part of the SARS-CoV-2 spike protein that binds to ACE2 receptors on human cells, allowing the virus to enter and infect.

Transfection

The introduction of foreign genetic material into cells.

Process: BiotechnologyMedicine / Genetics

Transfection is a technique used to introduce DNA or RNA into cells. It can be used to study gene function, produce proteins, and develop gene therapies.

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	6,303,606	241,625	26.09	0 ^hrs 55 ^mins
2	GeForce RTX 3080 10GB / 20GB GA102 [GeForce RTX 3080 10GB / 20GB]	Nvidia	GA102	4,851,791	222,591	21.80	1 ^hrs 6 ^mins
3	TITAN RTX TU102 [TITAN RTX] 16310	Nvidia	TU102	4,539,697	218,856	20.74	1 ^hrs 9 ^mins
4	GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448	Nvidia	TU102	4,376,385	216,128	20.25	1 ^hrs 11 ^mins
5	GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448	Nvidia	TU102	3,559,858	201,752	17.64	1 ^hrs 22 ^mins
6	GeForce RTX 3070 GA104 [GeForce RTX 3070]	Nvidia	GA104	3,103,548	191,953	16.17	1 ^hrs 29 ^mins
7	Radeon RX 6800/6800 XT / 6900 XT Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]	AMD	Navi 21	3,083,008	187,694	16.43	1 ^hrs 28 ^mins
8	GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068	Nvidia	TU104	2,916,816	188,667	15.46	1 ^hrs 33 ^mins
9	Quadro RTX 6000/8000 TU102GL [Quadro RTX 6000/8000]	Nvidia	TU102GL	2,869,129	187,171	15.33	1 ^hrs 34 ^mins
10	GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER]	Nvidia	TU104	2,768,357	185,510	14.92	1 ^hrs 36 ^mins
11	TITAN Xp GP102 [TITAN Xp] 12150	Nvidia	GP102	2,618,929	182,812	14.33	1 ^hrs 41 ^mins
12	GeForce RTX 2080 TU104 [GeForce RTX 2080]	Nvidia	TU104	2,547,923	178,875	14.24	1 ^hrs 41 ^mins
13	GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218	Nvidia	TU104	2,544,004	179,237	14.19	1 ^hrs 41 ^mins
14	GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti]	Nvidia	GA104	2,538,365	177,518	14.30	1 ^hrs 41 ^mins
15	GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER]	Nvidia	TU104	2,429,456	178,008	13.65	1 ^hrs 46 ^mins
16	GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465	Nvidia	TU106	2,088,352	168,100	12.42	1 ^hrs 56 ^mins
17	GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380	Nvidia	GP102	2,006,419	165,442	12.13	1 ^hrs 59 ^mins
18	GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER]	Nvidia	TU106	1,912,760	163,593	11.69	2 ^hrs 3 ^mins
19	GeForce RTX 2080 SUPER Mobile / Max-Q TU104M [GeForce RTX 2080 SUPER Mobile / Max-Q]	Nvidia	TU104M	1,823,768	161,661	11.28	2 ^hrs 8 ^mins

20	GeForce RTX 2060 KO TU106-200A [GeForce RTX 2060]	Nvidia	TU106-200A	1,778,817	160,567	11.08	2 ^hrs 10 ^mins
21	GeForce RTX 2080 SUPER Mobile / Max-Q TU104BM [GeForce RTX 2080 SUPER Mobile / Max-Q]	Nvidia	TU104BM	1,701,613	159,526	10.67	2 ^hrs 15 ^mins
22	Quadro RTX 4000 TU104GL [Quadro RTX 4000]	Nvidia	TU104GL	1,658,519	155,705	10.65	2 ^hrs 15 ^mins
23	Radeon VII Vega 20 [Radeon VII] 13,284	AMD	Vega 20	1,643,461	152,562	10.77	2 ^hrs 14 ^mins
24	GeForce RTX 2060 TU104 [GeForce RTX 2060]	Nvidia	TU104	1,633,445	154,795	10.55	2 ^hrs 16 ^mins
25	GeForce RTX 2070 TU106 [GeForce RTX 2070] M 6497	Nvidia	TU106	1,619,057	152,158	10.64	2 ^hrs 15 ^mins
26	GeForce RTX 2060 TU106 [Geforce RTX 2060]	Nvidia	TU106	1,537,091	152,592	10.07	2 ^hrs 23 ^mins
27	GeForce RTX 2060 Mobile TU106M [GeForce RTX 2060 Mobile] 4608	Nvidia	TU106M	1,526,544	152,824	9.99	2 ^hrs 24 ^mins
28	GeForce GTX Titan X GM200 [GeForce GTX Titan X] 6144	Nvidia	GM200	1,288,223	144,317	8.93	2 ^hrs 41 ^mins
29	GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873	Nvidia	GP104	1,263,994	141,847	8.91	2 ^hrs 42 ^mins
30	GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186	Nvidia	GP104	1,163,244	138,510	8.40	2 ^hrs 51 ^mins
31	Radeon RX Vega 56/64 Vega 10 XL/XT [Radeon RX Vega 56/64]	AMD	Vega 10 XL/XT	1,107,449	135,068	8.20	2 ^hrs 56 ^mins
32	Radeon RX 5600/5600 XT - 5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT / 5700/5700 XT]	AMD	Navi 10	1,083,005	134,932	8.03	2 ^hrs 59 ^mins
33	GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER]	Nvidia	TU116	1,072,567	134,564	7.97	3 ^hrs 1 ^mins
34	GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463	Nvidia	GP104	1,060,060	134,034	7.91	3 ^hrs 2 ^mins
35	GeForce GTX 980 Ti GM200 [GeForce GTX 980 Ti] 5632	Nvidia	GM200	1,016,903	133,012	7.65	3 ^hrs 8 ^mins
36	Quadro P5000 GP104GL [Quadro P5000]	Nvidia	GP104GL	999,161	131,889	7.58	3 ^hrs 10 ^mins
37	GeForce GTX 1070 Mobile GP104M [GeForce GTX 1070 Mobile]	Nvidia	GP104M	993,608	132,241	7.51	3 ^hrs 12 ^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	974,779	131,163	7.43	3 ^hrs 14 ^mins
39	Tesla T4 TU104GL [Tesla T4] 8141	Nvidia	TU104GL	954,012	128,398	7.43	3 ^hrs 14 ^mins

40	GeForce GTX 1660 Ti TU116 [GeForce GTX 1660 Ti]	Nvidia	TU116	887,313	127,557	6.96	3 ^hrs 27 ^mins
41	GeForce RTX 2060 Mobile / Max-Q TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550	Nvidia	TU106M	806,878	117,963	6.84	3 ^hrs 31 ^mins
42	GeForce GTX 1660 TU116 [GeForce GTX 1660]	Nvidia	TU116	761,294	118,619	6.42	3 ^hrs 44 ^mins
43	GeForce GTX 980 GM204 [GeForce GTX 980] 4612	Nvidia	GM204	674,342	114,583	5.89	4 ^hrs 5 ^mins
44	GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372	Nvidia	GP106	673,115	115,832	5.81	4 ^hrs 8 ^mins
45	P104-100 GP104 [P104-100]	Nvidia	GP104	667,449	115,882	5.76	4 ^hrs 10 ^mins
46	GeForce GTX 1070 GP104 [GeForce GTX 1070]	Nvidia	GP104	622,828	112,507	5.54	4 ^hrs 20 ^mins
47	GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935	Nvidia	GP106	577,621	107,363	5.38	4 ^hrs 28 ^mins
48	Radeon R9 Fury X Fiji XT [Radeon R9 Fury X]	AMD	Fiji XT	569,184	108,034	5.27	4 ^hrs 33 ^mins
49	GeForce GTX 1650 Ti Mobile TU116M [GeForce GTX 1650 Ti Mobile]	Nvidia	TU116M	563,966	109,709	5.14	4 ^hrs 40 ^mins
50	GeForce GTX 970 GM204 [GeForce GTX 970] 3494	Nvidia	GM204	556,307	108,962	5.11	4 ^hrs 42 ^mins
51	GeForce GTX 1650 SUPER TU116 [GeForce GTX 1650 SUPER]	Nvidia	TU116	551,108	108,814	5.06	4 ^hrs 44 ^mins
52	GeForce GTX 780 Ti GK110 [GeForce GTX 780 Ti] 5046	Nvidia	GK110	533,398	107,762	4.95	4 ^hrs 51 ^mins
53	Quadro P2200 GP106GL [Quadro P2200]	Nvidia	GP106GL	494,461	104,805	4.72	5 ^hrs 5 ^mins
54	Radeon RX 5500/5500M / Pro 5500M Navi 14 [Radeon RX 5500/5500M / Pro 5500M]	AMD	Navi 14	488,510	104,547	4.67	5 ^hrs 8 ^mins
55	Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590]	AMD	Ellesmere XT	484,465	102,330	4.73	5 ^hrs 4 ^mins
56	GeForce GTX 1650 TU116 [GeForce GTX 1650] 2984	Nvidia	TU116	474,136	103,130	4.60	5 ^hrs 13 ^mins
57	Radeon R9 200/300X Series Hawaii [Radeon R9 200/300X Series]	AMD	Hawaii	459,569	101,678	4.52	5 ^hrs 19 ^mins
58	P106-100 GP106 [P106-100]	Nvidia	GP106	450,698	101,667	4.43	5 ^hrs 25 ^mins
59	GeForce GTX 1650 Mobile / Max-Q TU117M [GeForce GTX 1650 Mobile / Max-Q]	Nvidia	TU117M	430,563	100,231	4.30	5 ^hrs 35 ^mins

60	Radeon R9 200/300 Series Hawaii [Radeon R9 200/300 Series]	AMD	Hawaii	358,867	92,180	3.89	6 ^hrs 10 ^mins
61	GeForce GTX 1050 Ti Mobile GP107M [GeForce GTX 1050 Ti Mobile]	Nvidia	GP107M	357,921	94,451	3.79	6 ^hrs 20 ^mins
62	GeForce GTX 1050 Ti GP107 [GeForce GTX 1050 Ti] 2138	Nvidia	GP107	352,366	93,570	3.77	6 ^hrs 22 ^mins
63	Radeon R9 280/HD 7900/8950 Tahiti PRO [Radeon R9 280/HD 7900/8950]	AMD	Tahiti PRO	313,204	89,962	3.48	6 ^hrs 54 ^mins
64	P106-090 GP106 [P106-090]	Nvidia	GP106	293,003	88,112	3.33	7 ^hrs 13 ^mins
65	Quadro T1000 Mobile TU117GLM [Quadro T1000 Mobile]	Nvidia	TU117GLM	264,678	85,093	3.11	7 ^hrs 43 ^mins
66	GeForce GTX 960 GM206 [GeForce GTX 960] 2308	Nvidia	GM206	264,164	84,896	3.11	7 ^hrs 43 ^mins
67	GeForce GTX 1050 Mobile GP107M [GeForce GTX 1050 Mobile]	Nvidia	GP107M	221,491	71,007	3.12	7 ^hrs 42 ^mins
68	Radeon R9 200 Series Hawaii [Radeon R9 200 Series]	AMD	Hawaii	194,760	76,717	2.54	9 ^hrs 27 ^mins
69	Quadro P1000 GP107GL [Quadro P1000]	Nvidia	GP107GL	186,022	75,611	2.46	9 ^hrs 45 ^mins
70	GeForce GTX 660 Ti GK104 [GeForce GTX 660 Ti] 2634	Nvidia	GK104	184,987	74,420	2.49	9 ^hrs 39 ^mins
71	GeForce GTX 760 GK104 [GeForce GTX 760] 2258	Nvidia	GK104	181,385	74,474	2.44	9 ^hrs 51 ^mins
72	Radeon RX 460 Baffin XT [Radeon RX 460]	AMD	Baffin XT	179,336	75,052	2.39	10 ^hrs 3 ^mins
73	GeForce GTX 770 GK104 [GeForce GTX 770] 3213	Nvidia	GK104	174,935	67,818	2.58	9 ^hrs 18 ^mins
74	GeForce GTX 750 Ti GM107 [GeForce GTX 750 Ti] 1389	Nvidia	GM107	152,431	70,689	2.16	11 ^hrs 8 ^mins
75	GeForce GTX 680 GK104 [GeForce GTX 680] 3250	Nvidia	GK104	149,675	69,731	2.15	11 ^hrs 11 ^mins
76	Radeon HD 7800 Pitcairn [Radeon HD 7800]	AMD	Pitcairn	144,338	69,530	2.08	11 ^hrs 34 ^mins
77	Quadro P620 GP107GL [Quadro P620]	Nvidia	GP107GL	134,018	65,859	2.03	11 ^hrs 48 ^mins
78	Quadro K2200 GM107GL [Quadro K2200]	Nvidia	GM107GL	120,277	65,653	1.83	13 ^hrs 6 ^mins
79	Polaris11 Baffin [Polaris11]	AMD	Baffin	108,904	63,469	1.72	13 ^hrs 59 ^mins

80	Radeon HD 7790 Bonaire XT [Radeon HD 7790]	AMD	Bonaire XT	100,261	54,930	1.83	13 ^hrs 9 ^mins
81	GeForce GT 1030 GP108 [GeForce GT 1030] 1127	Nvidia	GP108	95,870	60,689	1.58	15 ^hrs 12 ^mins
82	GeForce GTX 670MX GK106 [GeForce GTX 670MX]	Nvidia	GK106	92,676	55,563	1.67	14 ^hrs 23 ^mins
83	Radeon RX 550 Series AMD/ATI [Radeon RX 550 Series]	AMD	AMD/ATI	88,251	59,207	1.49	16 ^hrs 6 ^mins
84	GeForce GTX 850M GM107 [GeForce GTX 850M] 1155	Nvidia	GM107	87,615	58,140	1.51	15 ^hrs 56 ^mins
85	Quadro K1200 GM107GL [Quadro K1200]	Nvidia	GM107GL	87,614	59,127	1.48	16 ^hrs 12 ^mins
86	GeForce GTX 960M GM107 [GeForce GTX 960M] 1439	Nvidia	GM107	71,622	44,562	1.61	14 ^hrs 56 ^mins
87	Radeon R7 250X/HD 7700/8760 R575A [Radeon R7 250X/HD 7700/8760]	AMD	R575A	65,179	51,486	1.27	18 ^hrs 57 ^mins
88	Quadro K620 GM107GL [Quadro K620]	Nvidia	GM107GL	50,530	47,394	1.07	22 ^hrs 31 ^mins
89	Ryzen vega 8 mobile Raven [Ryzen vega 8 mobile]	AMD	Raven	49,504	48,263	1.03	23 ^hrs 24 ^mins
90	GeForce GTX 560 Ti GF114 [GeForce GTX 560 Ti]	Nvidia	GF114	42,246	46,314	0.91	26 ^hrs 19 ^mins
91	GeForce GT 730 GK208B [GeForce GT 730] 692.7	Nvidia	GK208B	31,030	41,634	0.75	32 ^hrs 12 ^mins
92	GeForce GT 640 GK107 [GeForce GT 640] 693	Nvidia	GK107	24,618	38,748	0.64	37 ^hrs 47 ^mins
93	Radeon RX Vega gfx902 raven [Radeon RX Vega gfx902]	AMD	raven	22,227	26,842	0.83	28 ^hrs 59 ^mins
94	GeForce GTX 550 Ti GF116 [GeForce GTX 550 Ti] 691	Nvidia	GF116	20,520	36,381	0.56	42 ^hrs 33 ^mins
95	GeForce GT 650M GK107 [GeForce GT 650M]	Nvidia	GK107	14,768	25,100	0.59	40 ^hrs 47 ^mins
96	GeForce GTS 450 GF106 [GeForce GTS 450]	Nvidia	GF106	11,349	25,100	0.45	53 ^hrs 5 ^mins
97	GeForce GT 710 GK208B [GeForce GT 710] 366	Nvidia	GK208B	10,189	25,100	0.41	59 ^hrs 7 ^mins

Research: COVID-19 Folding Project #14907

Project Summary AI Beta

Project team

Work unit

Official Project Description

Hardware Performance for Project 14907

GPU PPD Averages

Research: COVID-19 Folding Project #14907

Project Summary AI Beta

Project team

Work unit

Related projects

GPU PPD Averages