Folding project #14906, COVID-19 research

Research section Research projects and references

Project #14906 overview

Project Summary AI Beta

This project studies how the SARS-CoV-2 virus attaches to human cells using computer simulations. By understanding this binding process, researchers hope to 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: 110,064
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 contagious disease caused by the SARS-CoV-2 virus.

Disease: HealthcareMedicine / Infectious Disease

COVID-19 is a respiratory illness caused by a virus called SARS-CoV-2. 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 spread easily through respiratory droplets released when an infected person coughs, sneezes, or talks.

ACE2

Angiotensin-converting enzyme 2

Protein: BiotechnologyMedicine / Cardiology

ACE2 is a protein found on the surface of cells in many tissues throughout the body. It plays a role in regulating blood pressure and other bodily functions. 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 Region: BiotechnologyMedicine / Virology

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

SARS-CoV-2

Severe acute respiratory syndrome coronavirus 2

Virus: BiotechnologyMedicine / Infectious Disease

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

Transfection

The process of introducing foreign DNA into a cell.

Technique: Pharmaceutical ResearchBiotechnology / Molecular Biology

Transfection is a common technique used in research to introduce genetic material into cells. This can be used to study gene function, create genetically modified organisms, or develop new therapies.

Simulations

Computer models used to mimic real-world processes.

Tool: Pharmaceutical ResearchBiotechnology / Computational Biology

Simulations are computer programs that recreate complex systems or processes. In biological research, simulations can be used to study protein interactions, predict drug effects, or model disease progression.

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	5,757,715	211,324	27.25	0 ^hrs 53 ^mins
2	GeForce RTX 3080 10GB / 20GB GA102 [GeForce RTX 3080 10GB / 20GB]	Nvidia	GA102	4,454,704	191,961	23.21	1 ^hrs 2 ^mins
3	TITAN RTX TU102 [TITAN RTX] 16310	Nvidia	TU102	4,274,800	191,737	22.30	1 ^hrs 5 ^mins
4	GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448	Nvidia	TU102	4,231,044	191,063	22.14	1 ^hrs 5 ^mins
5	GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448	Nvidia	TU102	3,170,614	173,056	18.32	1 ^hrs 19 ^mins
6	GeForce RTX 3070 GA104 [GeForce RTX 3070]	Nvidia	GA104	3,048,614	170,698	17.86	1 ^hrs 21 ^mins
7	GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068	Nvidia	TU104	2,988,743	168,484	17.74	1 ^hrs 21 ^mins
8	GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER]	Nvidia	TU104	2,942,485	169,014	17.41	1 ^hrs 23 ^mins
9	Radeon RX 6800/6800 XT / 6900 XT Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]	AMD	Navi 21	2,767,559	166,168	16.66	1 ^hrs 26 ^mins
10	Quadro RTX 6000/8000 TU102GL [Quadro RTX 6000/8000]	Nvidia	TU102GL	2,653,293	163,718	16.21	1 ^hrs 29 ^mins
11	TITAN Xp GP102 [TITAN Xp] 12150	Nvidia	GP102	2,591,461	162,503	15.95	1 ^hrs 30 ^mins
12	GeForce RTX 2080 TU104 [GeForce RTX 2080]	Nvidia	TU104	2,482,117	159,266	15.58	1 ^hrs 32 ^mins
13	GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti]	Nvidia	GA104	2,375,147	159,295	14.91	1 ^hrs 37 ^mins
14	GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218	Nvidia	TU104	2,373,244	155,649	15.25	1 ^hrs 34 ^mins
15	GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER]	Nvidia	TU104	2,320,483	156,507	14.83	1 ^hrs 37 ^mins
16	GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380	Nvidia	GP102	2,047,538	148,491	13.79	1 ^hrs 44 ^mins
17	GeForce RTX 2080 SUPER Mobile / Max-Q TU104M [GeForce RTX 2080 SUPER Mobile / Max-Q]	Nvidia	TU104M	1,882,078	146,051	12.89	1 ^hrs 52 ^mins
18	GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER]	Nvidia	TU106	1,858,818	145,049	12.82	1 ^hrs 52 ^mins
19	GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465	Nvidia	TU106	1,808,755	142,784	12.67	1 ^hrs 54 ^mins

20	GeForce RTX 2060 KO TU106-200A [GeForce RTX 2060]	Nvidia	TU106-200A	1,807,782	144,346	12.52	1 ^hrs 55 ^mins
21	GeForce RTX 2060 TU104 [GeForce RTX 2060]	Nvidia	TU104	1,656,258	139,296	11.89	2 ^hrs 1 ^mins
22	GeForce RTX 2080 SUPER Mobile / Max-Q TU104BM [GeForce RTX 2080 SUPER Mobile / Max-Q]	Nvidia	TU104BM	1,627,246	139,072	11.70	2 ^hrs 3 ^mins
23	Quadro RTX 4000 TU104GL [Quadro RTX 4000]	Nvidia	TU104GL	1,571,572	136,114	11.55	2 ^hrs 5 ^mins
24	GeForce RTX 2060 TU106 [Geforce RTX 2060]	Nvidia	TU106	1,527,133	135,721	11.25	2 ^hrs 8 ^mins
25	GeForce RTX 2070 TU106 [GeForce RTX 2070] M 6497	Nvidia	TU106	1,503,719	130,651	11.51	2 ^hrs 5 ^mins
26	GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873	Nvidia	GP104	1,350,467	129,663	10.42	2 ^hrs 18 ^mins
27	GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186	Nvidia	GP104	1,313,409	129,874	10.11	2 ^hrs 22 ^mins
28	Radeon VII Vega 20 [Radeon VII] 13,284	AMD	Vega 20	1,237,441	127,144	9.73	2 ^hrs 28 ^mins
29	GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463	Nvidia	GP104	1,127,268	122,541	9.20	2 ^hrs 37 ^mins
30	GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER]	Nvidia	TU116	1,047,559	119,050	8.80	2 ^hrs 44 ^mins
31	GeForce GTX Titan X GM200 [GeForce GTX Titan X] 6144	Nvidia	GM200	1,025,042	117,245	8.74	2 ^hrs 45 ^mins
32	GeForce GTX 1070 Mobile GP104M [GeForce GTX 1070 Mobile]	Nvidia	GP104M	1,017,507	119,178	8.54	2 ^hrs 49 ^mins
33	GeForce RTX 2060 Mobile / Max-Q TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550	Nvidia	TU106M	1,014,403	118,760	8.54	2 ^hrs 49 ^mins
34	GeForce GTX 980 Ti GM200 [GeForce GTX 980 Ti] 5632	Nvidia	GM200	957,386	116,042	8.25	2 ^hrs 55 ^mins
35	Radeon RX 5600/5600 XT - 5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT / 5700/5700 XT]	AMD	Navi 10	893,177	112,952	7.91	3 ^hrs 2 ^mins
36	GeForce GTX 1660 Ti TU116 [GeForce GTX 1660 Ti]	Nvidia	TU116	850,123	112,111	7.58	3 ^hrs 10 ^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	837,574	110,084	7.61	3 ^hrs 9 ^mins
38	Radeon RX Vega 56/64 Vega 10 XL/XT [Radeon RX Vega 56/64]	AMD	Vega 10 XL/XT	830,960	109,119	7.62	3 ^hrs 9 ^mins
39	GeForce GT 710 GK208B [GeForce GT 710] 366	Nvidia	GK208B	764,675	108,736	7.03	3 ^hrs 25 ^mins

40	GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372	Nvidia	GP106	672,384	103,344	6.51	3 ^hrs 41 ^mins
41	GeForce GTX 980 GM204 [GeForce GTX 980] 4612	Nvidia	GM204	671,956	104,052	6.46	3 ^hrs 43 ^mins
42	GeForce GTX 1660 TU116 [GeForce GTX 1660]	Nvidia	TU116	665,870	99,466	6.69	3 ^hrs 35 ^mins
43	GeForce GTX 1070 GP104 [GeForce GTX 1070]	Nvidia	GP104	615,043	100,424	6.12	3 ^hrs 55 ^mins
44	GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935	Nvidia	GP106	596,791	99,574	5.99	4 ^hrs 0 ^mins
45	P104-100 GP104 [P104-100]	Nvidia	GP104	584,294	99,076	5.90	4 ^hrs 4 ^mins
46	GeForce GTX 1650 SUPER TU116 [GeForce GTX 1650 SUPER]	Nvidia	TU116	567,287	97,976	5.79	4 ^hrs 9 ^mins
47	GeForce GTX 1650 Ti Mobile TU116M [GeForce GTX 1650 Ti Mobile]	Nvidia	TU116M	553,946	97,323	5.69	4 ^hrs 13 ^mins
48	GeForce GTX 970 GM204 [GeForce GTX 970] 3494	Nvidia	GM204	538,661	96,021	5.61	4 ^hrs 17 ^mins
49	Quadro P2200 GP106GL [Quadro P2200]	Nvidia	GP106GL	501,873	94,358	5.32	4 ^hrs 31 ^mins
50	GeForce GTX 780 Ti GK110 [GeForce GTX 780 Ti] 5046	Nvidia	GK110	500,330	94,087	5.32	4 ^hrs 31 ^mins
51	GeForce GTX 1650 TU116 [GeForce GTX 1650] 2984	Nvidia	TU116	465,831	91,601	5.09	4 ^hrs 43 ^mins
52	Radeon RX 5500/5500M / Pro 5500M Navi 14 [Radeon RX 5500/5500M / Pro 5500M]	AMD	Navi 14	433,726	89,785	4.83	4 ^hrs 58 ^mins
53	GeForce GTX 1650 Mobile / Max-Q TU117M [GeForce GTX 1650 Mobile / Max-Q]	Nvidia	TU117M	429,975	89,341	4.81	4 ^hrs 59 ^mins
54	P106-100 GP106 [P106-100]	Nvidia	GP106	407,298	87,910	4.63	5 ^hrs 11 ^mins
55	Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590]	AMD	Ellesmere XT	395,123	85,247	4.64	5 ^hrs 11 ^mins
56	Radeon R9 Fury X Fiji XT [Radeon R9 Fury X]	AMD	Fiji XT	394,889	81,234	4.86	4 ^hrs 56 ^mins
57	GeForce GTX 1050 Ti GP107 [GeForce GTX 1050 Ti] 2138	Nvidia	GP107	347,291	83,173	4.18	5 ^hrs 45 ^mins
58	Radeon R9 200/300X Series Hawaii [Radeon R9 200/300X Series]	AMD	Hawaii	346,191	82,905	4.18	5 ^hrs 45 ^mins
59	Radeon R9 200/300 Series Hawaii [Radeon R9 200/300 Series]	AMD	Hawaii	342,615	81,748	4.19	5 ^hrs 44 ^mins

60	P106-090 GP106 [P106-090]	Nvidia	GP106	281,880	77,727	3.63	6 ^hrs 37 ^mins
61	GeForce GTX 960 GM206 [GeForce GTX 960] 2308	Nvidia	GM206	270,812	76,735	3.53	6 ^hrs 48 ^mins
62	Quadro T1000 Mobile TU117GLM [Quadro T1000 Mobile]	Nvidia	TU117GLM	252,369	73,933	3.41	7 ^hrs 2 ^mins
63	GeForce GTX 1050 Mobile GP107M [GeForce GTX 1050 Mobile]	Nvidia	GP107M	241,575	73,938	3.27	7 ^hrs 21 ^mins
64	GeForce GTX 680 GK104 [GeForce GTX 680] 3250	Nvidia	GK104	210,608	70,238	3.00	8 ^hrs 0 ^mins
65	Radeon R9 280/HD 7900/8950 Tahiti PRO [Radeon R9 280/HD 7900/8950]	AMD	Tahiti PRO	195,047	67,850	2.87	8 ^hrs 21 ^mins
66	Quadro P1000 GP107GL [Quadro P1000]	Nvidia	GP107GL	181,785	65,164	2.79	8 ^hrs 36 ^mins
67	GeForce GTX 660 Ti GK104 [GeForce GTX 660 Ti] 2634	Nvidia	GK104	173,489	65,095	2.67	9 ^hrs 0 ^mins
68	GeForce GTX 770 GK104 [GeForce GTX 770] 3213	Nvidia	GK104	166,008	63,013	2.63	9 ^hrs 7 ^mins
69	Radeon R9 200 Series Hawaii [Radeon R9 200 Series]	AMD	Hawaii	159,998	64,505	2.48	9 ^hrs 41 ^mins
70	GeForce GTX 750 Ti GM107 [GeForce GTX 750 Ti] 1389	Nvidia	GM107	139,071	61,405	2.26	10 ^hrs 36 ^mins
71	Quadro P620 GP107GL [Quadro P620]	Nvidia	GP107GL	136,530	61,133	2.23	10 ^hrs 45 ^mins
72	Radeon HD 7800 Pitcairn [Radeon HD 7800]	AMD	Pitcairn	125,984	59,459	2.12	11 ^hrs 20 ^mins
73	GeForce GTX 760 GK104 [GeForce GTX 760] 2258	Nvidia	GK104	120,920	57,401	2.11	11 ^hrs 24 ^mins
74	Radeon RX 460 Baffin XT [Radeon RX 460]	AMD	Baffin XT	120,095	55,381	2.17	11 ^hrs 4 ^mins
75	Quadro K2200 GM107GL [Quadro K2200]	Nvidia	GM107GL	116,791	58,054	2.01	11 ^hrs 56 ^mins
76	Polaris11 Baffin [Polaris11]	AMD	Baffin	113,176	57,265	1.98	12 ^hrs 9 ^mins
77	Radeon RX Vega M XL [Radeon RX Vega M XL]	AMD	Vega	111,040	49,357	2.25	10 ^hrs 40 ^mins
78	GeForce GTX 670MX GK106 [GeForce GTX 670MX]	Nvidia	GK106	107,620	56,025	1.92	12 ^hrs 30 ^mins
79	GeForce GT 1030 GP108 [GeForce GT 1030] 1127	Nvidia	GP108	95,987	53,813	1.78	13 ^hrs 27 ^mins

80	Quadro K1200 GM107GL [Quadro K1200]	Nvidia	GM107GL	83,028	51,812	1.60	14 ^hrs 59 ^mins
81	GeForce GTX 960M GM107 [GeForce GTX 960M] 1439	Nvidia	GM107	67,590	39,418	1.71	13 ^hrs 60 ^mins
82	Quadro K4000 GK104 [Quadro K4000]	Nvidia	GK104	62,679	47,112	1.33	18 ^hrs 2 ^mins
83	Radeon R7 250X/HD 7700/8760 R575A [Radeon R7 250X/HD 7700/8760]	AMD	R575A	57,434	45,678	1.26	19 ^hrs 5 ^mins
84	Quadro K620 GM107GL [Quadro K620]	Nvidia	GM107GL	56,680	45,497	1.25	19 ^hrs 16 ^mins
85	Venus R9 M275X HD 8800M series/[Venus R9 M275X] 1184	AMD	HD 8800M series/	48,882	43,507	1.12	21 ^hrs 22 ^mins
86	Quadro P400 GP107GL [Quadro P400] 641	Nvidia	GP107GL	45,490	42,309	1.08	22 ^hrs 19 ^mins
87	GeForce GTX 560 Ti GF114 [GeForce GTX 560 Ti]	Nvidia	GF114	37,844	39,815	0.95	25 ^hrs 15 ^mins
88	GeForce GT 730 GK208B [GeForce GT 730] 692.7	Nvidia	GK208B	30,326	37,042	0.82	29 ^hrs 19 ^mins
89	GeForce GTX 550 Ti GF116 [GeForce GTX 550 Ti] 691	Nvidia	GF116	16,516	30,299	0.55	44 ^hrs 2 ^mins
90	GeForce GTS 450 GF106 [GeForce GTS 450]	Nvidia	GF106	9,939	21,200	0.47	51 ^hrs 12 ^mins
91	Radeon RX Vega gfx902 raven [Radeon RX Vega gfx902]	AMD	raven	7,251	21,200	0.34	70 ^hrs 10 ^mins
92	Radeon APU A4-6000 R2 Mullins [Radeon APU A4-6000 R2]	AMD	Mullins	2,297	21,200	0.11	221 ^hrs 30 ^mins

Research: COVID-19 Folding Project #14906

Project Summary AI Beta

Project team

Work unit

Official Project Description

Hardware Performance for Project 14906

GPU PPD Averages

Research: COVID-19 Folding Project #14906

Project Summary AI Beta

Project team

Work unit

Related projects

GPU PPD Averages