Folding project #14905, COVID-19 research

Research section Research projects and references

Project #14905 overview

Project Summary AI Beta

This project studies how the COVID-19 virus attaches to human cells using computer simulations. By understanding these interactions, researchers hope to develop new ways to fight the virus and other diseases. The project is part of a larger effort to use science to solve problems in health, 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: 110,052
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 the SARS-CoV-2 virus.

Clinical Term: HealthcareInfectious Disease / Viral Diseases

COVID-19 is a severe respiratory disease caused by a novel coronavirus. Symptoms can range from mild to life-threatening and include fever, cough, shortness of breath, and fatigue. The virus spreads through respiratory droplets released when an infected person coughs or sneezes.

ACE2

Angiotensin-converting enzyme 2

Technical Term: PharmaceuticalMedicine / Cardiology

ACE2 is an enzyme found on the surface of cells in various organs, including the lungs. It plays a role in regulating blood pressure and other physiological processes. The SARS-CoV-2 virus uses ACE2 as a receptor to enter human cells.

RBD

Receptor-binding domain

Technical Term: BiotechnologyMedicine / Virology

The RBD is a specific region on the surface of the SARS-CoV-2 virus that binds to the ACE2 receptor on human cells. This binding is essential for the virus to enter and infect host cells.

SARS-CoV-2

Severe acute respiratory syndrome coronavirus 2

Clinical Term: HealthcareInfectious Disease / Viral Diseases

SARS-CoV-2 is the virus that causes COVID-19. It is a highly contagious respiratory virus that can cause severe illness, including pneumonia and respiratory failure.

Transfection

The process of introducing foreign DNA into cells.

Technical Term: BiotechnologyMolecular Biology / Gene Therapy

Transfection is a technique used to introduce genetic material (DNA or RNA) into cells. This process can be used for various purposes, including studying gene function, producing proteins, and developing gene therapies.

Simulations

Computer-based models that mimic real-world phenomena.

Technical Term: PharmaceuticalComputational Science / Bioinformatics

Simulations are computer programs that create virtual representations of real-world systems. They are used to study complex processes, test hypotheses, and make predictions.

Protein

Large biomolecules essential for all biological functions.

Scientific Term: BiotechnologyBiology / Molecular Biology

Proteins are complex molecules made up of chains of amino acids. They play crucial roles in virtually all cellular processes, including catalyzing reactions, transporting molecules, providing structural support, and regulating gene expression.

Plant Growth

The process of increase in size and mass of a plant.

Scientific Term: AgricultureBotany / Plant Physiology

Plant growth is the process by which plants increase in size and mass. It involves cell division, elongation, and differentiation. Various factors influence plant growth, including light, water, nutrients, temperature, and hormones.

Climate Change

Long-term changes in global temperatures and weather patterns.

Scientific Term: SustainabilityEnvironmental Science / Global Warming

Climate change refers to significant shifts in global climate patterns over extended periods. The primary driver of current climate change is human activity, particularly the release of greenhouse gases that trap heat in the atmosphere.

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	5,589,105	205,805	27.16	0 ^hrs 53 ^mins
2	GeForce RTX 3080 10GB / 20GB GA102 [GeForce RTX 3080 10GB / 20GB]	Nvidia	GA102	4,490,311	193,430	23.21	1 ^hrs 2 ^mins
3	TITAN RTX TU102 [TITAN RTX] 16310	Nvidia	TU102	4,334,098	192,338	22.53	1 ^hrs 4 ^mins
4	GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448	Nvidia	TU102	4,218,359	190,553	22.14	1 ^hrs 5 ^mins
5	GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448	Nvidia	TU102	3,349,525	176,269	19.00	1 ^hrs 16 ^mins
6	GeForce RTX 3070 GA104 [GeForce RTX 3070]	Nvidia	GA104	3,076,071	171,034	17.99	1 ^hrs 20 ^mins
7	GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068	Nvidia	TU104	3,046,993	171,277	17.79	1 ^hrs 21 ^mins
8	GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER]	Nvidia	TU104	2,939,908	168,951	17.40	1 ^hrs 23 ^mins
9	Radeon RX 6800/6800 XT / 6900 XT Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]	AMD	Navi 21	2,749,886	166,179	16.55	1 ^hrs 27 ^mins
10	TITAN Xp GP102 [TITAN Xp] 12150	Nvidia	GP102	2,599,724	162,698	15.98	1 ^hrs 30 ^mins
11	Quadro RTX 6000/8000 TU102GL [Quadro RTX 6000/8000]	Nvidia	TU102GL	2,555,410	157,095	16.27	1 ^hrs 29 ^mins
12	GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti]	Nvidia	GA104	2,403,893	158,176	15.20	1 ^hrs 35 ^mins
13	GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER]	Nvidia	TU104	2,383,961	157,990	15.09	1 ^hrs 35 ^mins
14	GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218	Nvidia	TU104	2,380,023	155,854	15.27	1 ^hrs 34 ^mins
15	GeForce RTX 2080 TU104 [GeForce RTX 2080]	Nvidia	TU104	2,367,754	157,095	15.07	1 ^hrs 36 ^mins
16	GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380	Nvidia	GP102	2,124,303	151,411	14.03	1 ^hrs 43 ^mins
17	GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER]	Nvidia	TU106	1,841,953	144,792	12.72	1 ^hrs 53 ^mins
18	GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465	Nvidia	TU106	1,820,052	142,950	12.73	1 ^hrs 53 ^mins
19	GeForce RTX 2060 KO TU106-200A [GeForce RTX 2060]	Nvidia	TU106-200A	1,799,878	144,105	12.49	1 ^hrs 55 ^mins

20	GeForce RTX 2080 SUPER Mobile / Max-Q TU104M [GeForce RTX 2080 SUPER Mobile / Max-Q]	Nvidia	TU104M	1,756,031	142,778	12.30	1 ^hrs 57 ^mins
21	GeForce RTX 2070 Mobile TU106BM [GeForce RTX 2070 Mobile] 6636	Nvidia	TU106BM	1,707,293	141,277	12.08	1 ^hrs 59 ^mins
22	GeForce RTX 2060 TU104 [GeForce RTX 2060]	Nvidia	TU104	1,590,618	137,210	11.59	2 ^hrs 4 ^mins
23	Quadro RTX 4000 TU104GL [Quadro RTX 4000]	Nvidia	TU104GL	1,568,209	135,205	11.60	2 ^hrs 4 ^mins
24	GeForce RTX 2070 TU106 [GeForce RTX 2070] M 6497	Nvidia	TU106	1,527,443	133,402	11.45	2 ^hrs 6 ^mins
25	GeForce RTX 2060 TU106 [Geforce RTX 2060]	Nvidia	TU106	1,481,645	133,907	11.06	2 ^hrs 10 ^mins
26	GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873	Nvidia	GP104	1,332,621	128,893	10.34	2 ^hrs 19 ^mins
27	GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186	Nvidia	GP104	1,293,574	128,891	10.04	2 ^hrs 23 ^mins
28	Radeon VII Vega 20 [Radeon VII] 13,284	AMD	Vega 20	1,289,304	128,964	10.00	2 ^hrs 24 ^mins
29	GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463	Nvidia	GP104	1,124,793	122,600	9.17	2 ^hrs 37 ^mins
30	Tesla T4 TU104GL [Tesla T4] 8141	Nvidia	TU104GL	1,065,446	120,841	8.82	2 ^hrs 43 ^mins
31	GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER]	Nvidia	TU116	1,041,426	119,272	8.73	2 ^hrs 45 ^mins
32	GeForce GTX Titan X GM200 [GeForce GTX Titan X] 6144	Nvidia	GM200	1,037,928	119,966	8.65	2 ^hrs 46 ^mins
33	GeForce GTX 1070 Mobile GP104M [GeForce GTX 1070 Mobile]	Nvidia	GP104M	1,023,305	119,622	8.55	2 ^hrs 48 ^mins
34	GeForce GTX 980 Ti GM200 [GeForce GTX 980 Ti] 5632	Nvidia	GM200	1,004,131	118,120	8.50	2 ^hrs 49 ^mins
35	Radeon RX Vega 56/64 Vega 10 XL/XT [Radeon RX Vega 56/64]	AMD	Vega 10 XL/XT	977,690	113,805	8.59	2 ^hrs 48 ^mins
36	GeForce RTX 2060 Mobile / Max-Q TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550	Nvidia	TU106M	914,520	114,249	8.00	2 ^hrs 60 ^mins
37	GeForce GTX 1660 Ti TU116 [GeForce GTX 1660 Ti]	Nvidia	TU116	911,076	114,723	7.94	3 ^hrs 1 ^mins
38	Radeon RX 5600/5600 XT - 5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT / 5700/5700 XT]	AMD	Navi 10	888,177	112,180	7.92	3 ^hrs 2 ^mins
39	Radeon RX 5600 OEM/5600 XT/5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]	AMD	Navi 10	869,074	110,983	7.83	3 ^hrs 4 ^mins

40	GeForce GTX 1660 TU116 [GeForce GTX 1660]	Nvidia	TU116	853,614	110,644	7.71	3 ^hrs 7 ^mins
41	GeForce GTX 980 GM204 [GeForce GTX 980] 4612	Nvidia	GM204	671,846	103,175	6.51	3 ^hrs 41 ^mins
42	GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372	Nvidia	GP106	667,996	102,502	6.52	3 ^hrs 41 ^mins
43	GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935	Nvidia	GP106	643,531	102,271	6.29	3 ^hrs 49 ^mins
44	GeForce GTX 1070 GP104 [GeForce GTX 1070]	Nvidia	GP104	625,641	101,111	6.19	3 ^hrs 53 ^mins
45	P104-100 GP104 [P104-100]	Nvidia	GP104	591,199	99,505	5.94	4 ^hrs 2 ^mins
46	GeForce GTX 970 GM204 [GeForce GTX 970] 3494	Nvidia	GM204	565,922	98,049	5.77	4 ^hrs 9 ^mins
47	GeForce GTX 780 GK110 [GeForce GTX 780] 3977	Nvidia	GK110	558,389	96,585	5.78	4 ^hrs 9 ^mins
48	GeForce GTX 1650 Ti Mobile TU116M [GeForce GTX 1650 Ti Mobile]	Nvidia	TU116M	549,124	96,720	5.68	4 ^hrs 14 ^mins
49	GeForce GTX 1650 SUPER TU116 [GeForce GTX 1650 SUPER]	Nvidia	TU116	544,985	94,488	5.77	4 ^hrs 10 ^mins
50	GeForce GTX 780 Ti GK110 [GeForce GTX 780 Ti] 5046	Nvidia	GK110	539,465	96,223	5.61	4 ^hrs 17 ^mins
51	Quadro P2200 GP106GL [Quadro P2200]	Nvidia	GP106GL	458,155	91,668	5.00	4 ^hrs 48 ^mins
52	GeForce GTX 1650 TU116 [GeForce GTX 1650] 2984	Nvidia	TU116	451,369	90,718	4.98	4 ^hrs 49 ^mins
53	Radeon R9 Fury X Fiji XT [Radeon R9 Fury X]	AMD	Fiji XT	440,252	90,205	4.88	4 ^hrs 55 ^mins
54	GeForce GTX 1650 Mobile / Max-Q TU117M [GeForce GTX 1650 Mobile / Max-Q]	Nvidia	TU117M	428,071	89,476	4.78	5 ^hrs 1 ^mins
55	P106-100 GP106 [P106-100]	Nvidia	GP106	411,639	88,090	4.67	5 ^hrs 8 ^mins
56	Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590]	AMD	Ellesmere XT	385,778	84,108	4.59	5 ^hrs 14 ^mins
57	P106-090 GP106 [P106-090]	Nvidia	GP106	348,972	77,641	4.49	5 ^hrs 20 ^mins
58	Radeon R9 200/300X Series Hawaii [Radeon R9 200/300X Series]	AMD	Hawaii	348,665	83,240	4.19	5 ^hrs 44 ^mins
59	GeForce GTX 1050 Ti GP107 [GeForce GTX 1050 Ti] 2138	Nvidia	GP107	346,245	82,973	4.17	5 ^hrs 45 ^mins

60	Radeon R9 200/300 Series Hawaii [Radeon R9 200/300 Series]	AMD	Hawaii	322,405	79,215	4.07	5 ^hrs 54 ^mins
61	GeForce GTX 960 GM206 [GeForce GTX 960] 2308	Nvidia	GM206	273,937	77,133	3.55	6 ^hrs 45 ^mins
62	Quadro T1000 Mobile TU117GLM [Quadro T1000 Mobile]	Nvidia	TU117GLM	253,404	74,020	3.42	7 ^hrs 1 ^mins
63	GeForce GTX 1050 Mobile GP107M [GeForce GTX 1050 Mobile]	Nvidia	GP107M	246,216	74,507	3.30	7 ^hrs 16 ^mins
64	Radeon R9 280/HD 7900/8950 Tahiti PRO [Radeon R9 280/HD 7900/8950]	AMD	Tahiti PRO	235,470	73,346	3.21	7 ^hrs 29 ^mins
65	GeForce GTX 680 GK104 [GeForce GTX 680] 3250	Nvidia	GK104	216,327	71,299	3.03	7 ^hrs 55 ^mins
66	Quadro P1000 GP107GL [Quadro P1000]	Nvidia	GP107GL	195,801	68,721	2.85	8 ^hrs 25 ^mins
67	GeForce GTX 660 Ti GK104 [GeForce GTX 660 Ti] 2634	Nvidia	GK104	182,076	66,779	2.73	8 ^hrs 48 ^mins
68	GeForce GTX 760 GK104 [GeForce GTX 760] 2258	Nvidia	GK104	174,443	65,741	2.65	9 ^hrs 3 ^mins
69	GeForce GTX 750 Ti GM107 [GeForce GTX 750 Ti] 1389	Nvidia	GM107	144,048	62,081	2.32	10 ^hrs 21 ^mins
70	Quadro P620 GP107GL [Quadro P620]	Nvidia	GP107GL	138,781	61,503	2.26	10 ^hrs 38 ^mins
71	Polaris11 Baffin [Polaris11]	AMD	Baffin	129,099	59,803	2.16	11 ^hrs 7 ^mins
72	Radeon HD 7800 Pitcairn [Radeon HD 7800]	AMD	Pitcairn	126,209	59,375	2.13	11 ^hrs 17 ^mins
73	Quadro K2200 GM107GL [Quadro K2200]	Nvidia	GM107GL	124,870	59,378	2.10	11 ^hrs 25 ^mins
74	Quadro T2000 Mobile / Max-Q TU117GLM [Quadro T2000 Mobile / Max-Q]	Nvidia	TU117GLM	100,342	21,200	4.73	5 ^hrs 4 ^mins
75	Radeon HD 7800 Series Pitcairn PRO [Radeon HD 7800 Series]	AMD	Pitcairn PRO	99,620	55,056	1.81	13 ^hrs 16 ^mins
76	GeForce GT 1030 GP108 [GeForce GT 1030] 1127	Nvidia	GP108	99,352	54,078	1.84	13 ^hrs 4 ^mins
77	Quadro K1200 GM107GL [Quadro K1200]	Nvidia	GM107GL	85,186	52,227	1.63	14 ^hrs 43 ^mins
78	GeForce GTX 960M GM107 [GeForce GTX 960M] 1439	Nvidia	GM107	74,600	43,379	1.72	13 ^hrs 57 ^mins
79	Radeon RX Vega M XL [Radeon RX Vega M XL]	AMD	Vega	74,362	42,418	1.75	13 ^hrs 41 ^mins

80	Radeon R7 250X/HD 7700/8760 R575A [Radeon R7 250X/HD 7700/8760]	AMD	R575A	54,532	44,975	1.21	19 ^hrs 48 ^mins
81	Quadro K620 GM107GL [Quadro K620]	Nvidia	GM107GL	54,077	44,899	1.20	19 ^hrs 56 ^mins
82	GeForce GTX 560 Ti GF114 [GeForce GTX 560 Ti]	Nvidia	GF114	37,693	39,785	0.95	25 ^hrs 20 ^mins
83	GeForce GTX 560 GF114 [GeForce GTX 560]	Nvidia	GF114	32,859	38,107	0.86	27 ^hrs 50 ^mins
84	Radeon R7 250/HD 7700 R575A [Radeon R7 250/HD 7700]	AMD	R575A	30,709	33,925	0.91	26 ^hrs 31 ^mins
85	GeForce GTX 460 v2 GF114 [GeForce GTX 460 v2] 1045.6	Nvidia	GF114	23,293	33,850	0.69	34 ^hrs 53 ^mins
86	GeForce GTX 550 Ti GF116 [GeForce GTX 550 Ti] 691	Nvidia	GF116	18,818	31,567	0.60	40 ^hrs 16 ^mins
87	FirePro W2100 Oland GL [FirePro W2100]	AMD	Oland GL	13,713	25,620	0.54	44 ^hrs 50 ^mins
88	Radeon RX Vega gfx902 raven [Radeon RX Vega gfx902]	AMD	raven	13,500	26,308	0.51	46 ^hrs 46 ^mins
89	Radeon APU A4-6000 R2 Mullins [Radeon APU A4-6000 R2]	AMD	Mullins	10,600	21,200	0.50	48 ^hrs 0 ^mins

Research: COVID-19 Folding Project #14905

Project Summary AI Beta

Project team

Work unit

Official Project Description

Hardware Performance for Project 14905

GPU PPD Averages

Research: COVID-19 Folding Project #14905

Project Summary AI Beta

Project team

Work unit

Related projects

GPU PPD Averages