Folding project #17311, COVID-19 research

Research section Research projects and references

Project #17311 overview

Project Summary AI Beta

This project looks at how a mutation in the SARS-CoV-2 virus affects its ability to bind to human cells and be neutralized by antibodies. By simulating these changes, scientists hope to better understand the virus and develop new treatments.

Automated summary; simplified and may not be fully accurate.

Project team

Manager(s): Ivy Zhang
Institution: Memorial Sloan Kettering Cancer Center
Website: Open project site

Work unit

Atoms: 207,350
Core: OPENMM_22
Status: Public

No related projects listed.

Source material

Official Project Description

This project involves the SARS-CoV-2 receptor binding domain (RBD) and its target receptor in humans, ACE2.

We are simulating mutants of these proteins in complex with each other (with glycosylation).

The results from this study will help guide our understanding of how a natural mutation in the RBD (that arose in Scotland) impacts RBD:ACE2 binding as well as as antibody neutralization.

Ultimately, the knowledge gained here will help infom drug design efforts.

Reading reference

Related Terms Glossary AI Beta

Automated high-level definitions; simplified and may not be fully accurate.

SARS-CoV-2

Severe acute respiratory syndrome coronavirus 2

Technical: BiotechnologyVirology / Infectious Diseases

SARS-CoV-2 is the virus responsible for causing COVID-19. It's a type of coronavirus that spreads through respiratory droplets and can lead to severe respiratory illness.

RBD

Receptor binding domain

Technical: BiotechnologyVirology / Immunology

The receptor binding domain (RBD) is a part of the spike protein on SARS-CoV-2. It's responsible for attaching to the ACE2 receptor on human cells, allowing the virus to enter and infect.

ACE2

Angiotensin-converting enzyme 2

Technical: BiotechnologyPhysiology / Cardiology

ACE2 is a protein found on the surface of many human cells, including those in the lungs and heart. SARS-CoV-2 uses ACE2 as a receptor to enter cells.

Glycosylation

The process of adding sugar molecules to proteins

Technical: BiotechnologyBiochemistry / Cellular Biology

Glycosylation is a common modification of proteins where sugar molecules are attached. It can affect protein structure, function, and stability.

Mutants

Genetically altered organisms or cells

Technical: BiotechnologyGenetics / Molecular Biology

Mutants are organisms or cells that have undergone genetic changes. These changes can be natural or induced in the lab.

Antibody Neutralization

The process of antibodies blocking the action of a virus

Technical: BiotechnologyImmunology / Virology

Antibody neutralization is a key mechanism of the immune system's response to viral infection. Antibodies can bind to viruses and prevent them from attaching to and infecting cells.

Drug Design

The process of creating new drugs

Technical: BiotechnologyPharmacology / Medicinal Chemistry

Drug design involves identifying and optimizing molecules that can interact with specific biological targets to treat diseases.

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	6,061,700	318,481	19.03	1 ^hrs 16 ^mins
2	GeForce RTX 3080 10GB / 20GB GA102 [GeForce RTX 3080 10GB / 20GB]	Nvidia	GA102	4,515,191	288,737	15.64	1 ^hrs 32 ^mins
3	TITAN RTX TU102 [TITAN RTX] 16310	Nvidia	TU102	4,400,576	288,036	15.28	1 ^hrs 34 ^mins
4	GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448	Nvidia	TU102	4,062,267	279,903	14.51	1 ^hrs 39 ^mins
5	Radeon RX 6800/6800 XT / 6900 XT Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]	AMD	Navi 21	3,700,250	267,955	13.81	1 ^hrs 44 ^mins
6	GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448	Nvidia	TU102	3,400,050	261,310	13.01	1 ^hrs 51 ^mins
7	GeForce RTX 3070 GA104 [GeForce RTX 3070]	Nvidia	GA104	2,929,017	250,166	11.71	2 ^hrs 3 ^mins
8	GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER]	Nvidia	TU104	2,758,947	245,791	11.22	2 ^hrs 8 ^mins
9	GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068	Nvidia	TU104	2,646,414	243,607	10.86	2 ^hrs 13 ^mins
10	GeForce RTX 2080 TU104 [GeForce RTX 2080]	Nvidia	TU104	2,585,438	240,863	10.73	2 ^hrs 14 ^mins
11	GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER]	Nvidia	TU104	2,293,577	232,287	9.87	2 ^hrs 26 ^mins
12	GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218	Nvidia	TU104	2,261,397	229,345	9.86	2 ^hrs 26 ^mins
13	GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465	Nvidia	TU106	2,066,087	223,486	9.24	2 ^hrs 36 ^mins
14	GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380	Nvidia	GP102	1,985,400	218,855	9.07	2 ^hrs 39 ^mins
15	GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER]	Nvidia	TU106	1,886,309	214,692	8.79	2 ^hrs 44 ^mins
16	GeForce RTX 2070 TU106 [GeForce RTX 2070] M 6497	Nvidia	TU106	1,830,742	210,564	8.69	2 ^hrs 46 ^mins
17	Quadro RTX 4000 TU104GL [Quadro RTX 4000]	Nvidia	TU104GL	1,687,908	206,991	8.15	2 ^hrs 57 ^mins
18	Radeon VII Vega 20 [Radeon VII] 13,284	AMD	Vega 20	1,642,765	205,423	8.00	3 ^hrs 0 ^mins
19	GeForce RTX 2060 TU104 [GeForce RTX 2060]	Nvidia	TU104	1,549,465	202,158	7.66	3 ^hrs 8 ^mins

20	GeForce RTX 2060 TU106 [Geforce RTX 2060]	Nvidia	TU106	1,478,560	200,023	7.39	3 ^hrs 15 ^mins
21	GeForce GTX Titan X GM200 [GeForce GTX Titan X] 6144	Nvidia	GM200	1,302,772	192,132	6.78	3 ^hrs 32 ^mins
22	GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873	Nvidia	GP104	1,277,618	186,323	6.86	3 ^hrs 30 ^mins
23	GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186	Nvidia	GP104	1,202,274	187,135	6.42	3 ^hrs 44 ^mins
24	GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463	Nvidia	GP104	1,109,780	178,982	6.20	3 ^hrs 52 ^mins
25	GeForce GTX 980 Ti GM200 [GeForce GTX 980 Ti] 5632	Nvidia	GM200	1,098,896	181,270	6.06	3 ^hrs 58 ^mins
26	Radeon RX Vega 56/64 Vega 10 XL/XT [Radeon RX Vega 56/64]	AMD	Vega 10 XL/XT	1,038,214	175,747	5.91	4 ^hrs 4 ^mins
27	GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER]	Nvidia	TU116	1,019,252	176,801	5.76	4 ^hrs 10 ^mins
28	Radeon RX 5600/5600 XT - 5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT / 5700/5700 XT]	AMD	Navi 10	948,442	171,059	5.54	4 ^hrs 20 ^mins
29	GeForce GTX 1660 Ti TU116 [GeForce GTX 1660 Ti]	Nvidia	TU116	866,295	167,192	5.18	4 ^hrs 38 ^mins
30	GeForce RTX 2060 Mobile / Max-Q TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550	Nvidia	TU106M	806,672	156,219	5.16	4 ^hrs 39 ^mins
31	GeForce GTX 1660 TU116 [GeForce GTX 1660]	Nvidia	TU116	793,041	162,863	4.87	4 ^hrs 56 ^mins
32	P104-100 GP104 [P104-100]	Nvidia	GP104	770,407	161,435	4.77	5 ^hrs 2 ^mins
33	GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372	Nvidia	GP106	696,595	154,397	4.51	5 ^hrs 19 ^mins
34	GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935	Nvidia	GP106	632,555	150,543	4.20	5 ^hrs 43 ^mins
35	Radeon R9 Fury X Fiji XT [Radeon R9 Fury X]	AMD	Fiji XT	609,344	148,118	4.11	5 ^hrs 50 ^mins
36	P106-100 GP106 [P106-100]	Nvidia	GP106	558,408	144,711	3.86	6 ^hrs 13 ^mins
37	GeForce GTX 1650 SUPER TU116 [GeForce GTX 1650 SUPER]	Nvidia	TU116	539,894	143,436	3.76	6 ^hrs 23 ^mins
38	Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590]	AMD	Ellesmere XT	441,635	133,005	3.32	7 ^hrs 14 ^mins
39	Radeon R9 200/300X Series Hawaii [Radeon R9 200/300X Series]	AMD	Hawaii	426,494	132,092	3.23	7 ^hrs 26 ^mins

40	Radeon RX 5500/5500M / Pro 5500M Navi 14 [Radeon RX 5500/5500M / Pro 5500M]	AMD	Navi 14	415,389	125,272	3.32	7 ^hrs 14 ^mins
41	GeForce GTX 1650 TU116 [GeForce GTX 1650] 2984	Nvidia	TU116	414,015	131,189	3.16	7 ^hrs 36 ^mins
42	GeForce GTX 1650 Mobile / Max-Q TU117M [GeForce GTX 1650 Mobile / Max-Q]	Nvidia	TU117M	399,462	130,052	3.07	7 ^hrs 49 ^mins
43	Quadro T1000 Mobile TU117GLM [Quadro T1000 Mobile]	Nvidia	TU117GLM	301,399	117,629	2.56	9 ^hrs 22 ^mins
44	P106-090 GP106 [P106-090]	Nvidia	GP106	289,634	116,510	2.49	9 ^hrs 39 ^mins
45	Radeon R9 200/300 Series Hawaii [Radeon R9 200/300 Series]	AMD	Hawaii	271,033	108,427	2.50	9 ^hrs 36 ^mins
46	Radeon R9 280/HD 7900/8950 Tahiti PRO [Radeon R9 280/HD 7900/8950]	AMD	Tahiti PRO	219,699	101,871	2.16	11 ^hrs 8 ^mins
47	Radeon RX Vega M XL [Radeon RX Vega M XL]	AMD	Vega	149,685	83,849	1.79	13 ^hrs 27 ^mins
48	Radeon HD 7800 Pitcairn [Radeon HD 7800]	AMD	Pitcairn	138,996	91,286	1.52	15 ^hrs 46 ^mins
49	Radeon R7 250X/HD 7700/8760 R575A [Radeon R7 250X/HD 7700/8760]	AMD	R575A	62,237	69,862	0.89	26 ^hrs 56 ^mins
50	Ryzen vega 8 mobile Raven [Ryzen vega 8 mobile]	AMD	Raven	52,757	61,311	0.86	27 ^hrs 53 ^mins
51	Radeon RX Vega gfx902 raven [Radeon RX Vega gfx902]	AMD	raven	49,652	64,399	0.77	31 ^hrs 8 ^mins
52	Radeon APU A4-6000 R2 Mullins [Radeon APU A4-6000 R2]	AMD	Mullins	4,379	49,514	0.09	271 ^hrs 22 ^mins

Research: COVID-19 Folding Project #17311

Project Summary AI Beta

Project team

Work unit

Official Project Description

Hardware Performance for Project 17311

GPU PPD Averages

Research: COVID-19 Folding Project #17311

Project Summary AI Beta

Project team

Work unit

Related projects

GPU PPD Averages