Folding project #14908, COVID-19 research

Research section Research projects and references

Project #14908 overview

Project Summary AI Beta

The project relates to understanding how the COVID-19 virus binds to human cells. Researchers use computer simulations to study the interactions between the virus and a protein called ACE2. This helps us learn how the virus works and potentially develop new treatments.

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: 215,357
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

Technical: BiotechnologyMedicine / Infectious Diseases

COVID-19 is a contagious respiratory illness caused by the SARS-CoV-2 virus. Symptoms can range from mild to severe and may include fever, cough, shortness of breath, and fatigue. Vaccination and preventive measures are crucial for controlling its spread.

ACE2

Angiotensin-converting enzyme 2

Technical: BiotechnologyMedicine / Cardiology

ACE2 is an enzyme found on the surface of cells, primarily in the lungs and heart. It plays a role in regulating blood pressure and fluid balance. The SARS-CoV-2 virus uses ACE2 to enter human cells.

SARS-CoV-2

Severe acute respiratory syndrome coronavirus 2

Technical: BiotechnologyMedicine / Virology

SARS-CoV-2 is the virus responsible for causing COVID-19. It is a type of coronavirus that can infect humans and cause severe respiratory illness.

RBD

Receptor-binding domain

Technical: BiotechnologyMedicine / Virology

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

Transfection

The process of introducing foreign DNA or RNA into a cell.

Technical: BiotechnologyBiotechnology / Molecular Biology

Transfection is a common technique used in research and biotechnology to introduce genetic material into cells. This allows scientists to study gene function, create genetically modified organisms, and develop new therapies.

Simulations

Computer-based models that mimic real-world processes.

Technical: BiotechnologyBiotechnology / Computational Biology

Simulations are used in biotechnology to model complex biological systems, predict protein interactions, and design new drugs.

Molecular Engineering

The design and construction of new molecules and biological systems.

Technical: BiotechnologyBiotechnology / Synthetic Biology

Molecular engineering aims to create novel biological components with specific functions, such as biosensors, biofuels, and therapeutic proteins.

Plant Growth

The process by which plants increase in size and biomass.

Technical: BiotechnologyAgriculture / Botany

Plant growth is influenced by a variety of factors, including light, water, nutrients, and temperature. Understanding how to regulate plant growth is crucial for improving agricultural productivity.

Climate Change

The long-term increase in Earth's average surface temperature.

Technical: BiotechnologyEnvironmental Science / Global Warming

Climate change is primarily caused by the release of greenhouse gases into the atmosphere, which trap heat. It has significant impacts on ecosystems, weather patterns, and human societies.

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	6,256,243	241,330	25.92	0 ^hrs 56 ^mins
2	Tesla V100 SXM2 16GB GV100GL [Tesla V100 SXM2 16GB] M 14899	Nvidia	GV100GL	5,280,879	229,160	23.04	1 ^hrs 2 ^mins
3	GeForce RTX 3080 10GB / 20GB GA102 [GeForce RTX 3080 10GB / 20GB]	Nvidia	GA102	4,780,339	219,748	21.75	1 ^hrs 6 ^mins
4	TITAN RTX TU102 [TITAN RTX] 16310	Nvidia	TU102	4,375,092	216,577	20.20	1 ^hrs 11 ^mins
5	GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448	Nvidia	TU102	4,316,640	215,097	20.07	1 ^hrs 12 ^mins
6	GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448	Nvidia	TU102	3,519,864	200,269	17.58	1 ^hrs 22 ^mins
7	Radeon RX 6800/6800 XT / 6900 XT Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]	AMD	Navi 21	3,463,291	200,421	17.28	1 ^hrs 23 ^mins
8	GeForce RTX 3070 GA104 [GeForce RTX 3070]	Nvidia	GA104	3,125,042	192,709	16.22	1 ^hrs 29 ^mins
9	Quadro RTX 6000/8000 TU102GL [Quadro RTX 6000/8000]	Nvidia	TU102GL	3,053,998	193,514	15.78	1 ^hrs 31 ^mins
10	GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER]	Nvidia	TU104	2,843,853	187,413	15.17	1 ^hrs 35 ^mins
11	GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068	Nvidia	TU104	2,812,484	184,755	15.22	1 ^hrs 35 ^mins
12	GeForce RTX 2080 TU104 [GeForce RTX 2080]	Nvidia	TU104	2,621,739	182,474	14.37	1 ^hrs 40 ^mins
13	TITAN Xp GP102 [TITAN Xp] 12150	Nvidia	GP102	2,478,549	175,323	14.14	1 ^hrs 42 ^mins
14	GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti]	Nvidia	GA104	2,465,140	177,661	13.88	1 ^hrs 44 ^mins
15	GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218	Nvidia	TU104	2,454,140	177,258	13.85	1 ^hrs 44 ^mins
16	GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER]	Nvidia	TU104	2,432,221	177,814	13.68	1 ^hrs 45 ^mins
17	GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380	Nvidia	GP102	2,037,382	166,902	12.21	1 ^hrs 58 ^mins
18	GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER]	Nvidia	TU106	1,951,870	164,974	11.83	2 ^hrs 2 ^mins
19	GeForce RTX 2080 SUPER Mobile / Max-Q TU104M [GeForce RTX 2080 SUPER Mobile / Max-Q]	Nvidia	TU104M	1,800,192	160,952	11.18	2 ^hrs 9 ^mins

20	Radeon VII Vega 20 [Radeon VII] 13,284	AMD	Vega 20	1,796,182	159,125	11.29	2 ^hrs 8 ^mins
21	GeForce RTX 2060 KO TU106-200A [GeForce RTX 2060]	Nvidia	TU106-200A	1,752,862	159,745	10.97	2 ^hrs 11 ^mins
22	GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465	Nvidia	TU106	1,749,446	148,410	11.79	2 ^hrs 2 ^mins
23	GeForce RTX 2070 TU106 [GeForce RTX 2070] M 6497	Nvidia	TU106	1,742,575	156,164	11.16	2 ^hrs 9 ^mins
24	Quadro RTX 4000 TU104GL [Quadro RTX 4000]	Nvidia	TU104GL	1,658,998	155,757	10.65	2 ^hrs 15 ^mins
25	GeForce RTX 2060 TU104 [GeForce RTX 2060]	Nvidia	TU104	1,644,885	155,583	10.57	2 ^hrs 16 ^mins
26	GeForce RTX 2080 SUPER Mobile / Max-Q TU104BM [GeForce RTX 2080 SUPER Mobile / Max-Q]	Nvidia	TU104BM	1,643,433	156,577	10.50	2 ^hrs 17 ^mins
27	GeForce RTX 2060 TU106 [Geforce RTX 2060]	Nvidia	TU106	1,541,399	152,100	10.13	2 ^hrs 22 ^mins
28	GeForce RTX 2060 Mobile TU106M [GeForce RTX 2060 Mobile] 4608	Nvidia	TU106M	1,513,632	152,414	9.93	2 ^hrs 25 ^mins
29	GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873	Nvidia	GP104	1,295,211	143,462	9.03	2 ^hrs 39 ^mins
30	GeForce GTX Titan X GM200 [GeForce GTX Titan X] 6144	Nvidia	GM200	1,293,800	144,341	8.96	2 ^hrs 41 ^mins
31	GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186	Nvidia	GP104	1,136,817	137,745	8.25	2 ^hrs 54 ^mins
32	Radeon RX Vega 56/64 Vega 10 XL/XT [Radeon RX Vega 56/64]	AMD	Vega 10 XL/XT	1,108,638	134,860	8.22	2 ^hrs 55 ^mins
33	GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER]	Nvidia	TU116	1,089,921	135,693	8.03	2 ^hrs 59 ^mins
34	GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463	Nvidia	GP104	1,060,130	134,295	7.89	3 ^hrs 2 ^mins
35	GeForce GTX 980 Ti GM200 [GeForce GTX 980 Ti] 5632	Nvidia	GM200	1,027,518	132,944	7.73	3 ^hrs 6 ^mins
36	Radeon RX 5600/5600 XT - 5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT / 5700/5700 XT]	AMD	Navi 10	1,009,832	131,232	7.70	3 ^hrs 7 ^mins
37	GeForce GTX 1070 Mobile GP104M [GeForce GTX 1070 Mobile]	Nvidia	GP104M	980,717	130,291	7.53	3 ^hrs 11 ^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	941,963	127,622	7.38	3 ^hrs 15 ^mins
39	GeForce RTX 2060 Mobile / Max-Q TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550	Nvidia	TU106M	884,847	121,039	7.31	3 ^hrs 17 ^mins

40	GeForce GTX 1660 Ti TU116 [GeForce GTX 1660 Ti]	Nvidia	TU116	882,381	126,140	7.00	3 ^hrs 26 ^mins
41	GeForce GTX 1660 TU116 [GeForce GTX 1660]	Nvidia	TU116	832,935	123,206	6.76	3 ^hrs 33 ^mins
42	GeForce GTX 980 GM204 [GeForce GTX 980] 4612	Nvidia	GM204	701,361	117,787	5.95	4 ^hrs 2 ^mins
43	GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372	Nvidia	GP106	681,954	116,053	5.88	4 ^hrs 5 ^mins
44	P104-100 GP104 [P104-100]	Nvidia	GP104	670,564	116,091	5.78	4 ^hrs 9 ^mins
45	GeForce GTX 1070 GP104 [GeForce GTX 1070]	Nvidia	GP104	617,690	112,595	5.49	4 ^hrs 22 ^mins
46	GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935	Nvidia	GP106	600,862	111,847	5.37	4 ^hrs 28 ^mins
47	GeForce GTX 780 Ti GK110 [GeForce GTX 780 Ti] 5046	Nvidia	GK110	594,038	111,454	5.33	4 ^hrs 30 ^mins
48	GeForce GTX 1650 Ti Mobile TU116M [GeForce GTX 1650 Ti Mobile]	Nvidia	TU116M	583,610	111,001	5.26	4 ^hrs 34 ^mins
49	GeForce GTX 970 GM204 [GeForce GTX 970] 3494	Nvidia	GM204	570,686	109,780	5.20	4 ^hrs 37 ^mins
50	Radeon R9 Fury X Fiji XT [Radeon R9 Fury X]	AMD	Fiji XT	566,828	108,229	5.24	4 ^hrs 35 ^mins
51	GeForce GTX 1650 SUPER TU116 [GeForce GTX 1650 SUPER]	Nvidia	TU116	548,224	108,294	5.06	4 ^hrs 44 ^mins
52	Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590]	AMD	Ellesmere XT	472,355	99,334	4.76	5 ^hrs 3 ^mins
53	Radeon R9 200/300X Series Hawaii [Radeon R9 200/300X Series]	AMD	Hawaii	455,539	101,372	4.49	5 ^hrs 20 ^mins
54	P106-100 GP106 [P106-100]	Nvidia	GP106	448,699	101,556	4.42	5 ^hrs 26 ^mins
55	Radeon RX 5500/5500M / Pro 5500M Navi 14 [Radeon RX 5500/5500M / Pro 5500M]	AMD	Navi 14	446,841	100,777	4.43	5 ^hrs 25 ^mins
56	GeForce GTX 1650 TU116 [GeForce GTX 1650] 2984	Nvidia	TU116	445,237	100,354	4.44	5 ^hrs 25 ^mins
57	GeForce GTX 1650 Mobile / Max-Q TU117M [GeForce GTX 1650 Mobile / Max-Q]	Nvidia	TU117M	421,205	99,756	4.22	5 ^hrs 41 ^mins
58	Radeon R9 200/300 Series Hawaii [Radeon R9 200/300 Series]	AMD	Hawaii	388,271	95,386	4.07	5 ^hrs 54 ^mins
59	GeForce GTX 1050 Ti GP107 [GeForce GTX 1050 Ti] 2138	Nvidia	GP107	333,646	91,171	3.66	6 ^hrs 33 ^mins

60	P106-090 GP106 [P106-090]	Nvidia	GP106	295,094	88,291	3.34	7 ^hrs 11 ^mins
61	GeForce GTX 1050 LP GP107 [GeForce GTX 1050 LP] 1862	Nvidia	GP107	277,636	86,758	3.20	7 ^hrs 30 ^mins
62	GeForce GTX 960 GM206 [GeForce GTX 960] 2308	Nvidia	GM206	267,976	85,594	3.13	7 ^hrs 40 ^mins
63	Quadro T1000 Mobile TU117GLM [Quadro T1000 Mobile]	Nvidia	TU117GLM	257,952	84,472	3.05	7 ^hrs 52 ^mins
64	Radeon R9 280/HD 7900/8950 Tahiti PRO [Radeon R9 280/HD 7900/8950]	AMD	Tahiti PRO	237,141	71,293	3.33	7 ^hrs 13 ^mins
65	Quadro P1000 GP107GL [Quadro P1000]	Nvidia	GP107GL	191,899	76,987	2.49	9 ^hrs 38 ^mins
66	GeForce GTX 660 Ti GK104 [GeForce GTX 660 Ti] 2634	Nvidia	GK104	184,422	74,628	2.47	9 ^hrs 43 ^mins
67	GeForce GTX 760 GK104 [GeForce GTX 760] 2258	Nvidia	GK104	183,890	75,225	2.44	9 ^hrs 49 ^mins
68	Radeon RX Vega M XL [Radeon RX Vega M XL]	AMD	Vega	183,578	75,429	2.43	9 ^hrs 52 ^mins
69	GeForce GTX 680 GK104 [GeForce GTX 680] 3250	Nvidia	GK104	175,400	73,454	2.39	10 ^hrs 3 ^mins
70	Radeon RX 460 Baffin XT [Radeon RX 460]	AMD	Baffin XT	175,289	74,389	2.36	10 ^hrs 11 ^mins
71	GeForce GTX 750 Ti GM107 [GeForce GTX 750 Ti] 1389	Nvidia	GM107	153,827	70,922	2.17	11 ^hrs 4 ^mins
72	Radeon HD 7800 Pitcairn [Radeon HD 7800]	AMD	Pitcairn	145,654	69,847	2.09	11 ^hrs 31 ^mins
73	Quadro P620 GP107GL [Quadro P620]	Nvidia	GP107GL	142,932	69,476	2.06	11 ^hrs 40 ^mins
74	Quadro K2200 GM107GL [Quadro K2200]	Nvidia	GM107GL	126,003	66,345	1.90	12 ^hrs 38 ^mins
75	Radeon HD 7790 Bonaire XT [Radeon HD 7790]	AMD	Bonaire XT	119,932	65,698	1.83	13 ^hrs 9 ^mins
76	GeForce GT 1030 GP108 [GeForce GT 1030] 1127	Nvidia	GP108	93,051	60,125	1.55	15 ^hrs 30 ^mins
77	Quadro K1200 GM107GL [Quadro K1200]	Nvidia	GM107GL	88,445	58,910	1.50	15 ^hrs 59 ^mins
78	GeForce GTX 670MX GK106 [GeForce GTX 670MX]	Nvidia	GK106	84,905	51,315	1.65	14 ^hrs 30 ^mins
79	GeForce GTX 960M GM107 [GeForce GTX 960M] 1439	Nvidia	GM107	80,134	49,143	1.63	14 ^hrs 43 ^mins

80	Radeon R7 250X/HD 7700/8760 R575A [Radeon R7 250X/HD 7700/8760]	AMD	R575A	68,503	54,342	1.26	19 ^hrs 2 ^mins
81	Quadro K620 GM107GL [Quadro K620]	Nvidia	GM107GL	54,334	50,352	1.08	22 ^hrs 14 ^mins
82	Radeon RX Vega gfx902 raven [Radeon RX Vega gfx902]	AMD	raven	49,836	48,495	1.03	23 ^hrs 21 ^mins
83	Ryzen vega 8 mobile Raven [Ryzen vega 8 mobile]	AMD	Raven	47,155	47,935	0.98	24 ^hrs 24 ^mins
84	GeForce GTX 560 Ti GF114 [GeForce GTX 560 Ti]	Nvidia	GF114	40,629	45,593	0.89	26 ^hrs 56 ^mins
85	Quadro K2000 GK107 [Quadro K2000]	Nvidia	GK107	29,530	41,160	0.72	33 ^hrs 27 ^mins
86	Radeon R7 240/HD8570 Hawaii [Radeon R7 240/HD8570]	AMD	Hawaii	29,357	35,757	0.82	29 ^hrs 14 ^mins
87	GeForce 920M GK208 [GeForce 920M]	Nvidia	GK208	27,584	40,233	0.69	35 ^hrs 0 ^mins
88	GeForce GT 640 GK107 [GeForce GT 640] 693	Nvidia	GK107	22,446	35,841	0.63	38 ^hrs 19 ^mins
89	GeForce GT 730 GK208B [GeForce GT 730] 692.7	Nvidia	GK208B	20,494	36,344	0.56	42 ^hrs 34 ^mins
90	GeForce GTS 450 GF106 [GeForce GTS 450]	Nvidia	GF106	11,383	25,100	0.45	52 ^hrs 55 ^mins
91	Radeon APU A4-6000 R2 Mullins [Radeon APU A4-6000 R2]	AMD	Mullins	2,966	25,100	0.12	203 ^hrs 6 ^mins

Research: COVID-19 Folding Project #14908

Project Summary AI Beta

Project team

Work unit

Official Project Description

Hardware Performance for Project 14908

GPU PPD Averages

Research: COVID-19 Folding Project #14908

Project Summary AI Beta

Project team

Work unit

Related projects

GPU PPD Averages