Folding project #14904, COVID-19 research

Research section Research projects and references

Project #14904 overview

Project Summary AI Beta

This project studies how the SARS-CoV-2 virus attaches to human cells using computer simulations. By understanding this process, researchers hope to develop new ways to fight COVID-19. The project also aims to understand how proteins work in general, which could lead to advances in medicine, energy, and climate change.

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: 110,066
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: HealthcareInfectious Disease / Respiratory Illness

COVID-19 is an infectious disease caused by the SARS-CoV-2 virus. Symptoms can range from mild to severe and may include fever, cough, shortness of breath, fatigue, and loss of taste or smell. It can lead to serious complications such as pneumonia and respiratory failure.

ACE2

Angiotensin-converting enzyme 2

Protein: BiotechnologyMedicine / Cardiology

ACE2 is a protein found on the surface of many cells in the body. It plays a role in regulating blood pressure and fluid balance. The SARS-CoV-2 virus uses ACE2 as a receptor to enter human cells, which is why it can cause COVID-19.

RBD

Receptor-binding domain

Protein: BiotechnologyMedicine / Virology

The RBD is a part of the SARS-CoV-2 spike protein 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

Virus: HealthcareInfectious Disease / Respiratory Illness

SARS-CoV-2 is the virus that causes COVID-19. It is a type of coronavirus that spreads easily from person to person through respiratory droplets.

Transfection

The process of introducing foreign genetic material into a cell

Process: BiotechnologyMolecular Biology / Genetics

Transfection is a common laboratory technique used to introduce DNA or RNA into cells. It allows scientists to study gene function and develop new therapies.

Simulations

The use of computer models to simulate real-world processes

Process: BiotechnologyComputational Science / Molecular Modeling

Simulations are used in many fields, including science and engineering, to predict how systems will behave under different conditions. In this case, simulations are being used to study the interactions between proteins involved in COVID-19.

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	5,844,133	210,904	27.71	0 ^hrs 52 ^mins
2	GeForce RTX 3080 10GB / 20GB GA102 [GeForce RTX 3080 10GB / 20GB]	Nvidia	GA102	4,640,969	196,028	23.68	1 ^hrs 1 ^mins
3	Tesla V100 SXM2 16GB GV100GL [Tesla V100 SXM2 16GB] M 14899	Nvidia	GV100GL	4,274,124	192,765	22.17	1 ^hrs 5 ^mins
4	GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448	Nvidia	TU102	4,227,143	190,751	22.16	1 ^hrs 5 ^mins
5	TITAN RTX TU102 [TITAN RTX] 16310	Nvidia	TU102	3,938,824	177,951	22.13	1 ^hrs 5 ^mins
6	GeForce RTX 3070 GA104 [GeForce RTX 3070]	Nvidia	GA104	3,145,451	172,447	18.24	1 ^hrs 19 ^mins
7	GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448	Nvidia	TU102	3,097,399	171,848	18.02	1 ^hrs 20 ^mins
8	GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068	Nvidia	TU104	3,057,285	171,926	17.78	1 ^hrs 21 ^mins
9	Radeon RX 6800/6800 XT / 6900 XT Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]	AMD	Navi 21	2,986,608	171,086	17.46	1 ^hrs 22 ^mins
10	GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER]	Nvidia	TU104	2,952,718	169,301	17.44	1 ^hrs 23 ^mins
11	Quadro RTX 6000/8000 TU102GL [Quadro RTX 6000/8000]	Nvidia	TU102GL	2,542,601	161,461	15.75	1 ^hrs 31 ^mins
12	GeForce RTX 2080 TU104 [GeForce RTX 2080]	Nvidia	TU104	2,502,437	160,099	15.63	1 ^hrs 32 ^mins
13	GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER]	Nvidia	TU104	2,342,392	157,361	14.89	1 ^hrs 37 ^mins
14	GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti]	Nvidia	GA104	2,328,603	156,409	14.89	1 ^hrs 37 ^mins
15	GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218	Nvidia	TU104	2,320,452	154,085	15.06	1 ^hrs 36 ^mins
16	TITAN Xp GP102 [TITAN Xp] 12150	Nvidia	GP102	2,319,027	144,523	16.05	1 ^hrs 30 ^mins
17	GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380	Nvidia	GP102	2,114,102	151,222	13.98	1 ^hrs 43 ^mins
18	GeForce RTX 2080 SUPER Mobile / Max-Q TU104M [GeForce RTX 2080 SUPER Mobile / Max-Q]	Nvidia	TU104M	1,924,286	147,174	13.07	1 ^hrs 50 ^mins
19	GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER]	Nvidia	TU106	1,857,185	144,832	12.82	1 ^hrs 52 ^mins

20	GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465	Nvidia	TU106	1,808,949	142,626	12.68	1 ^hrs 54 ^mins
21	GeForce RTX 2060 KO TU106-200A [GeForce RTX 2060]	Nvidia	TU106-200A	1,807,055	144,287	12.52	1 ^hrs 55 ^mins
22	GeForce RTX 2060 TU104 [GeForce RTX 2060]	Nvidia	TU104	1,624,046	138,026	11.77	2 ^hrs 2 ^mins
23	GeForce RTX 2070 TU106 [GeForce RTX 2070] M 6497	Nvidia	TU106	1,594,874	135,380	11.78	2 ^hrs 2 ^mins
24	Quadro RTX 4000 TU104GL [Quadro RTX 4000]	Nvidia	TU104GL	1,583,488	136,842	11.57	2 ^hrs 4 ^mins
25	GeForce RTX 2060 TU106 [Geforce RTX 2060]	Nvidia	TU106	1,531,039	135,960	11.26	2 ^hrs 8 ^mins
26	GeForce RTX 2060 Mobile TU106M [GeForce RTX 2060 Mobile] 4608	Nvidia	TU106M	1,475,906	134,950	10.94	2 ^hrs 12 ^mins
27	GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873	Nvidia	GP104	1,324,104	129,030	10.26	2 ^hrs 20 ^mins
28	GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186	Nvidia	GP104	1,308,192	129,253	10.12	2 ^hrs 22 ^mins
29	Radeon VII Vega 20 [Radeon VII] 13,284	AMD	Vega 20	1,248,250	126,614	9.86	2 ^hrs 26 ^mins
30	GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463	Nvidia	GP104	1,127,429	121,856	9.25	2 ^hrs 36 ^mins
31	GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER]	Nvidia	TU116	1,071,475	120,899	8.86	2 ^hrs 42 ^mins
32	GeForce GTX Titan X GM200 [GeForce GTX Titan X] 6144	Nvidia	GM200	1,046,612	120,204	8.71	2 ^hrs 45 ^mins
33	GeForce GTX 1070 Mobile GP104M [GeForce GTX 1070 Mobile]	Nvidia	GP104M	1,023,500	119,558	8.56	2 ^hrs 48 ^mins
34	GeForce GTX 980 Ti GM200 [GeForce GTX 980 Ti] 5632	Nvidia	GM200	982,902	117,554	8.36	2 ^hrs 52 ^mins
35	Radeon RX 5600/5600 XT - 5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT / 5700/5700 XT]	AMD	Navi 10	905,101	113,539	7.97	3 ^hrs 1 ^mins
36	Radeon RX 5600 OEM/5600 XT/5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]	AMD	Navi 10	869,697	112,674	7.72	3 ^hrs 7 ^mins
37	GeForce GTX 1660 TU116 [GeForce GTX 1660]	Nvidia	TU116	865,231	110,650	7.82	3 ^hrs 4 ^mins
38	GeForce RTX 2060 Mobile / Max-Q TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550	Nvidia	TU106M	841,097	111,865	7.52	3 ^hrs 12 ^mins
39	GeForce GTX 1660 Ti TU116 [GeForce GTX 1660 Ti]	Nvidia	TU116	838,913	111,747	7.51	3 ^hrs 12 ^mins

40	Radeon RX Vega 56/64 Vega 10 XL/XT [Radeon RX Vega 56/64]	AMD	Vega 10 XL/XT	815,163	105,362	7.74	3 ^hrs 6 ^mins
41	GeForce GTX 980 GM204 [GeForce GTX 980] 4612	Nvidia	GM204	666,180	100,240	6.65	3 ^hrs 37 ^mins
42	GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372	Nvidia	GP106	643,166	100,730	6.39	3 ^hrs 46 ^mins
43	GeForce GTX 1070 GP104 [GeForce GTX 1070]	Nvidia	GP104	613,829	100,489	6.11	3 ^hrs 56 ^mins
44	P104-100 GP104 [P104-100]	Nvidia	GP104	587,511	99,270	5.92	4 ^hrs 3 ^mins
45	GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935	Nvidia	GP106	577,010	98,504	5.86	4 ^hrs 6 ^mins
46	GeForce GTX 1650 SUPER TU116 [GeForce GTX 1650 SUPER]	Nvidia	TU116	570,151	98,077	5.81	4 ^hrs 8 ^mins
47	GeForce GTX 1650 Ti Mobile TU116M [GeForce GTX 1650 Ti Mobile]	Nvidia	TU116M	569,291	98,173	5.80	4 ^hrs 8 ^mins
48	GeForce GTX 970 GM204 [GeForce GTX 970] 3494	Nvidia	GM204	551,187	97,150	5.67	4 ^hrs 14 ^mins
49	GeForce GTX 780 Ti GK110 [GeForce GTX 780 Ti] 5046	Nvidia	GK110	484,797	93,329	5.19	4 ^hrs 37 ^mins
50	GeForce GTX 1650 TU116 [GeForce GTX 1650] 2984	Nvidia	TU116	473,162	92,111	5.14	4 ^hrs 40 ^mins
51	Radeon RX 5500/5500M / Pro 5500M Navi 14 [Radeon RX 5500/5500M / Pro 5500M]	AMD	Navi 14	448,363	90,665	4.95	4 ^hrs 51 ^mins
52	GeForce GTX 1650 Mobile / Max-Q TU117M [GeForce GTX 1650 Mobile / Max-Q]	Nvidia	TU117M	433,004	89,889	4.82	4 ^hrs 59 ^mins
53	Radeon R9 Fury X Fiji XT [Radeon R9 Fury X]	AMD	Fiji XT	413,690	87,366	4.74	5 ^hrs 4 ^mins
54	P106-100 GP106 [P106-100]	Nvidia	GP106	412,985	88,183	4.68	5 ^hrs 7 ^mins
55	Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590]	AMD	Ellesmere XT	398,740	86,658	4.60	5 ^hrs 13 ^mins
56	GeForce GTX 780 GK110 [GeForce GTX 780] 3977	Nvidia	GK110	371,393	66,202	5.61	4 ^hrs 17 ^mins
57	Radeon R9 200/300X Series Hawaii [Radeon R9 200/300X Series]	AMD	Hawaii	348,416	83,171	4.19	5 ^hrs 44 ^mins
58	P106-090 GP106 [P106-090]	Nvidia	GP106	324,590	78,090	4.16	5 ^hrs 46 ^mins
59	GeForce GTX 1050 Ti GP107 [GeForce GTX 1050 Ti] 2138	Nvidia	GP107	316,782	80,228	3.95	6 ^hrs 5 ^mins

60	GeForce GTX 960 GM206 [GeForce GTX 960] 2308	Nvidia	GM206	266,560	75,931	3.51	6 ^hrs 50 ^mins
61	Quadro T1000 Mobile TU117GLM [Quadro T1000 Mobile]	Nvidia	TU117GLM	258,263	75,325	3.43	6 ^hrs 60 ^mins
62	GeForce GTX 1050 Mobile GP107M [GeForce GTX 1050 Mobile]	Nvidia	GP107M	250,343	74,934	3.34	7 ^hrs 11 ^mins
63	Radeon R9 200/300 Series Hawaii [Radeon R9 200/300 Series]	AMD	Hawaii	247,125	70,050	3.53	6 ^hrs 48 ^mins
64	Radeon R9 280/HD 7900/8950 Tahiti PRO [Radeon R9 280/HD 7900/8950]	AMD	Tahiti PRO	237,618	73,421	3.24	7 ^hrs 25 ^mins
65	GeForce GTX 680 GK104 [GeForce GTX 680] 3250	Nvidia	GK104	210,640	70,700	2.98	8 ^hrs 3 ^mins
66	Quadro P1000 GP107GL [Quadro P1000]	Nvidia	GP107GL	184,026	66,126	2.78	8 ^hrs 37 ^mins
67	GeForce GTX 660 Ti GK104 [GeForce GTX 660 Ti] 2634	Nvidia	GK104	183,534	67,046	2.74	8 ^hrs 46 ^mins
68	GeForce GTX 750 Ti GM107 [GeForce GTX 750 Ti] 1389	Nvidia	GM107	150,579	63,016	2.39	10 ^hrs 3 ^mins
69	Quadro P620 GP107GL [Quadro P620]	Nvidia	GP107GL	141,405	61,813	2.29	10 ^hrs 29 ^mins
70	GeForce GTX 1050 LP GP107 [GeForce GTX 1050 LP] 1862	Nvidia	GP107	127,280	35,650	3.57	6 ^hrs 43 ^mins
71	Radeon R9 200 Series Hawaii [Radeon R9 200 Series]	AMD	Hawaii	125,338	59,065	2.12	11 ^hrs 19 ^mins
72	Radeon HD 7800 Pitcairn [Radeon HD 7800]	AMD	Pitcairn	124,305	58,863	2.11	11 ^hrs 22 ^mins
73	Radeon RX 460 Baffin XT [Radeon RX 460]	AMD	Baffin XT	122,024	58,903	2.07	11 ^hrs 35 ^mins
74	Quadro K2200 GM107GL [Quadro K2200]	Nvidia	GM107GL	113,327	57,415	1.97	12 ^hrs 10 ^mins
75	GeForce GTX 670MX GK106 [GeForce GTX 670MX]	Nvidia	GK106	107,940	56,310	1.92	12 ^hrs 31 ^mins
76	Polaris11 Baffin [Polaris11]	AMD	Baffin	106,789	56,186	1.90	12 ^hrs 38 ^mins
77	GeForce GT 1030 GP108 [GeForce GT 1030] 1127	Nvidia	GP108	99,390	54,943	1.81	13 ^hrs 16 ^mins
78	Radeon HD 7800 Series Pitcairn PRO [Radeon HD 7800 Series]	AMD	Pitcairn PRO	98,286	54,717	1.80	13 ^hrs 22 ^mins
79	GeForce GTX 770 GK104 [GeForce GTX 770] 3213	Nvidia	GK104	91,672	53,419	1.72	13 ^hrs 59 ^mins

80	GeForce GTX 760 GK104 [GeForce GTX 760] 2258	Nvidia	GK104	85,168	50,970	1.67	14 ^hrs 22 ^mins
81	Quadro K1200 GM107GL [Quadro K1200]	Nvidia	GM107GL	83,565	51,880	1.61	14 ^hrs 54 ^mins
82	Radeon RX Vega M XL [Radeon RX Vega M XL]	AMD	Vega	82,261	42,836	1.92	12 ^hrs 30 ^mins
83	Radeon HD 7790 Bonaire XT [Radeon HD 7790]	AMD	Bonaire XT	82,050	45,683	1.80	13 ^hrs 22 ^mins
84	GeForce GTX 960M GM107 [GeForce GTX 960M] 1439	Nvidia	GM107	78,687	42,000	1.87	12 ^hrs 49 ^mins
85	Quadro K4200 GK104 [Quadro K4200]	Nvidia	GK104	69,721	45,208	1.54	15 ^hrs 34 ^mins
86	Quadro K4000 GK104 [Quadro K4000]	Nvidia	GK104	63,208	47,406	1.33	18 ^hrs 0 ^mins
87	Radeon R7 250X/HD 7700/8760 R575A [Radeon R7 250X/HD 7700/8760]	AMD	R575A	54,220	44,875	1.21	19 ^hrs 52 ^mins
88	Quadro K620 GM107GL [Quadro K620]	Nvidia	GM107GL	46,846	38,438	1.22	19 ^hrs 42 ^mins
89	Quadro P400 GP107GL [Quadro P400] 641	Nvidia	GP107GL	45,106	41,858	1.08	22 ^hrs 16 ^mins
90	Ryzen vega 8 mobile Raven [Ryzen vega 8 mobile]	AMD	Raven	44,343	42,009	1.06	22 ^hrs 44 ^mins
91	GeForce GTX 560 Ti GF114 [GeForce GTX 560 Ti]	Nvidia	GF114	32,573	37,888	0.86	27 ^hrs 55 ^mins
92	Radeon R7 250/HD 7700 R575A [Radeon R7 250/HD 7700]	AMD	R575A	28,086	33,130	0.85	28 ^hrs 19 ^mins
93	Radeon RX Vega gfx902 raven [Radeon RX Vega gfx902]	AMD	raven	27,138	35,798	0.76	31 ^hrs 40 ^mins
94	FirePro W2100 Oland GL [FirePro W2100]	AMD	Oland GL	17,207	30,827	0.56	42 ^hrs 60 ^mins
95	GeForce GTX 550 Ti GF116 [GeForce GTX 550 Ti] 691	Nvidia	GF116	16,491	28,872	0.57	42 ^hrs 1 ^mins
96	GeForce GTS 450 GF106 [GeForce GTS 450]	Nvidia	GF106	9,901	21,200	0.47	51 ^hrs 23 ^mins
97	Radeon APU A4-6000 R2 Mullins [Radeon APU A4-6000 R2]	AMD	Mullins	1,671	21,200	0.08	304 ^hrs 29 ^mins

Research: COVID-19 Folding Project #14904

Project Summary AI Beta

Project team

Work unit

Official Project Description

Hardware Performance for Project 14904

GPU PPD Averages

Research: COVID-19 Folding Project #14904

Project Summary AI Beta

Project team

Work unit

Related projects

GPU PPD Averages