Folding project #17403, COVID-19 research

Research section Research projects and references

Project #17403 overview

Project Summary AI Beta

This project looks at the SARS-CoV-2 virus's copying machine (nsp12). Scientists want to find places on this machine where drugs could attach and stop it from working. They also want to see how changes in the machine's design affect how well drugs work.

Automated summary; simplified and may not be fully accurate.

Project team

Manager(s): Artur Meller
Institution: Washington University in St. Louis

Work unit

Atoms: 204,154
Core: OPENMM_22
Status: Public

Source material

Official Project Description

This project simulates the SARS-Cov2 nsp12 polymerase (RNA-directed RNA polymerase), which is responsible for duplicating the SARS-Cov2 genome during infection.

These simulations will focus on identifying druggable pockets on the protein's surface as well as predicting the effect of mutations on drug sensitivity.

Reading reference

Related Terms Glossary AI Beta

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

SARS-Cov2

Severe acute respiratory syndrome coronavirus 2

Scientific: BiotechnologyInfectious Disease / Viral Infections

SARS-CoV-2 is the virus that causes COVID-19. It's a type of coronavirus that spreads through respiratory droplets when an infected person coughs, sneezes, or talks.

nsp12

Non-structural protein 12

Technical: BiotechnologyMolecular Biology / Viral Replication

NSP12 is a key enzyme found in SARS-CoV-2 that's responsible for replicating the virus's genetic material (RNA). It's essential for the virus to make copies of itself within infected cells.

Polymerase

An enzyme that synthesizes polymers from monomers

Scientific: Biotechnology, PharmacologyMolecular Biology / DNA & RNA Replication

Polymerases are enzymes that build long chains of molecules. In the case of SARS-CoV-2 nsp12, it's an RNA polymerase, meaning it builds RNA chains from existing RNA templates.

RNA-directed RNA polymerase

An enzyme that synthesizes RNA from an RNA template.

Scientific: BiotechnologyMolecular Biology / Viral Replication

This type of polymerase is unique to certain viruses like SARS-CoV-2. It uses existing RNA as a blueprint to create new RNA molecules.

Genome

The complete set of genetic material in an organism.

Scientific: Biotechnology, MedicineMolecular Biology / Genetics

A genome is like the instruction manual for a living thing. It contains all the DNA (or RNA) that determines its traits and characteristics.

Mutations

Changes in the DNA sequence.

Scientific: Biotechnology, MedicineGenetics / Genetic Variation

Mutations are alterations in an organism's genetic code. They can be small changes or large-scale rearrangements and often lead to variations in traits.

Drug sensitivity

A measure of how susceptible a microorganism is to a particular drug.

Scientific: Biotechnology, PharmaceuticalPharmacology / Antiviral Drug Development

Drug sensitivity refers to how well a virus or bacteria responds to medication. Researchers study this to develop effective treatments and understand how resistance develops.

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	6,486,661	268,886	24.12	0 ^hrs 60 ^mins
2	GeForce RTX 3080 10GB / 20GB GA102 [GeForce RTX 3080 10GB / 20GB]	Nvidia	GA102	5,843,227	260,210	22.46	1 ^hrs 4 ^mins
3	TITAN RTX TU102 [TITAN RTX] 16310	Nvidia	TU102	5,489,117	254,126	21.60	1 ^hrs 7 ^mins
4	GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448	Nvidia	TU102	5,243,157	249,873	20.98	1 ^hrs 9 ^mins
5	GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448	Nvidia	TU102	3,684,572	221,469	16.64	1 ^hrs 27 ^mins
6	GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER]	Nvidia	TU104	3,067,265	209,548	14.64	1 ^hrs 38 ^mins
7	GeForce RTX 2080 TU104 [GeForce RTX 2080]	Nvidia	TU104	2,953,229	207,311	14.25	1 ^hrs 41 ^mins
8	GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465	Nvidia	TU106	2,795,517	204,167	13.69	1 ^hrs 45 ^mins
9	GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218	Nvidia	TU104	2,792,875	202,147	13.82	1 ^hrs 44 ^mins
10	GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER]	Nvidia	TU106	2,369,041	192,236	12.32	1 ^hrs 57 ^mins
11	GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380	Nvidia	GP102	2,308,750	190,250	12.14	1 ^hrs 59 ^mins
12	GeForce RTX 2080 SUPER Mobile / Max-Q TU104BM [GeForce RTX 2080 SUPER Mobile / Max-Q]	Nvidia	TU104BM	1,991,807	182,121	10.94	2 ^hrs 12 ^mins
13	GeForce RTX 2080 SUPER Mobile / Max-Q TU104M [GeForce RTX 2080 SUPER Mobile / Max-Q]	Nvidia	TU104M	1,917,947	178,883	10.72	2 ^hrs 14 ^mins
14	GeForce RTX 2070 TU106 [GeForce RTX 2070] M 6497	Nvidia	TU106	1,789,570	171,283	10.45	2 ^hrs 18 ^mins
15	GeForce RTX 2060 TU106 [Geforce RTX 2060]	Nvidia	TU106	1,659,316	169,172	9.81	2 ^hrs 27 ^mins
16	GeForce RTX 2060 TU104 [GeForce RTX 2060]	Nvidia	TU104	1,583,736	168,252	9.41	2 ^hrs 33 ^mins
17	GeForce GTX Titan X GM200 [GeForce GTX Titan X] 6144	Nvidia	GM200	1,382,957	161,518	8.56	2 ^hrs 48 ^mins
18	GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873	Nvidia	GP104	1,353,929	159,072	8.51	2 ^hrs 49 ^mins
19	GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186	Nvidia	GP104	1,285,281	154,740	8.31	2 ^hrs 53 ^mins

20	GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER]	Nvidia	TU116	1,236,614	155,261	7.96	3 ^hrs 1 ^mins
21	GeForce GTX 1660 Ti TU116 [GeForce GTX 1660 Ti]	Nvidia	TU116	1,198,937	154,023	7.78	3 ^hrs 5 ^mins
22	GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463	Nvidia	GP104	1,063,696	144,779	7.35	3 ^hrs 16 ^mins
23	Radeon RX Vega 56/64 Vega 10 XL/XT [Radeon RX Vega 56/64]	AMD	Vega 10 XL/XT	1,026,312	145,061	7.08	3 ^hrs 24 ^mins
24	GeForce GTX 1660 TU116 [GeForce GTX 1660]	Nvidia	TU116	1,001,498	143,954	6.96	3 ^hrs 27 ^mins
25	GeForce GTX 980 Ti GM200 [GeForce GTX 980 Ti] 5632	Nvidia	GM200	959,776	142,116	6.75	3 ^hrs 33 ^mins
26	GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372	Nvidia	GP106	793,729	133,917	5.93	4 ^hrs 3 ^mins
27	GeForce GTX 980 GM204 [GeForce GTX 980] 4612	Nvidia	GM204	749,187	131,616	5.69	4 ^hrs 13 ^mins
28	P104-100 GP104 [P104-100]	Nvidia	GP104	748,474	131,570	5.69	4 ^hrs 13 ^mins
29	GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935	Nvidia	GP106	700,820	128,529	5.45	4 ^hrs 24 ^mins
30	GeForce GTX 970 GM204 [GeForce GTX 970] 3494	Nvidia	GM204	677,207	125,535	5.39	4 ^hrs 27 ^mins
31	Radeon RX 5600/5600 XT - 5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT / 5700/5700 XT]	AMD	Navi 10	648,316	123,577	5.25	4 ^hrs 34 ^mins
32	GeForce GTX 1650 TU116 [GeForce GTX 1650] 2984	Nvidia	TU116	599,750	122,011	4.92	4 ^hrs 53 ^mins
33	Radeon R9 Fury X Fiji XT [Radeon R9 Fury X]	AMD	Fiji XT	568,905	119,916	4.74	5 ^hrs 4 ^mins
34	P106-100 GP106 [P106-100]	Nvidia	GP106	511,499	115,599	4.42	5 ^hrs 25 ^mins
35	GeForce GTX 1050 Ti GP107 [GeForce GTX 1050 Ti] 2138	Nvidia	GP107	432,976	108,961	3.97	6 ^hrs 2 ^mins
36	Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590]	AMD	Ellesmere XT	410,969	107,418	3.83	6 ^hrs 16 ^mins
37	Radeon R9 200/300 Series Hawaii [Radeon R9 200/300 Series]	AMD	Hawaii	331,652	99,260	3.34	7 ^hrs 11 ^mins
38	P106-090 GP106 [P106-090]	Nvidia	GP106	325,288	99,434	3.27	7 ^hrs 20 ^mins
39	GeForce GTX 960 GM206 [GeForce GTX 960] 2308	Nvidia	GM206	266,512	88,397	3.01	7 ^hrs 58 ^mins

40	Quadro T1000 Mobile TU117GLM [Quadro T1000 Mobile]	Nvidia	TU117GLM	261,531	91,770	2.85	8 ^hrs 25 ^mins
41	Radeon R9 200/300X Series Hawaii [Radeon R9 200/300X Series]	AMD	Hawaii	252,371	75,035	3.36	7 ^hrs 8 ^mins
42	GeForce GTX 660 Ti GK104 [GeForce GTX 660 Ti] 2634	Nvidia	GK104	223,970	86,652	2.58	9 ^hrs 17 ^mins
43	GeForce GTX 680 GK104 [GeForce GTX 680] 3250	Nvidia	GK104	180,843	80,635	2.24	10 ^hrs 42 ^mins
44	Quadro P620 GP107GL [Quadro P620]	Nvidia	GP107GL	158,471	78,407	2.02	11 ^hrs 52 ^mins
45	GeForce GT 1030 GP108 [GeForce GT 1030] 1127	Nvidia	GP108	125,903	72,434	1.74	13 ^hrs 48 ^mins
46	Radeon HD 7800 Pitcairn [Radeon HD 7800]	AMD	Pitcairn	116,050	70,676	1.64	14 ^hrs 37 ^mins
47	GeForce GTX 670MX GK106 [GeForce GTX 670MX]	Nvidia	GK106	107,782	68,869	1.57	15 ^hrs 20 ^mins
48	GeForce GTX 770 GK104 [GeForce GTX 770] 3213	Nvidia	GK104	99,806	67,462	1.48	16 ^hrs 13 ^mins
49	GeForce GTX 650 GK107 [GeForce GTX 650] 812	Nvidia	GK107	46,630	51,973	0.90	26 ^hrs 45 ^mins
50	Radeon APU A4-6000 R2 Mullins [Radeon APU A4-6000 R2]	AMD	Mullins	3,058	28,580	0.11	224 ^hrs 18 ^mins

Research: COVID-19 Folding Project #17403

Project Summary AI Beta

Project team

Work unit

Official Project Description

Hardware Performance for Project 17403

GPU PPD Averages

Research: COVID-19 Folding Project #17403

Project Summary AI Beta

Project team

Work unit

Related projects

GPU PPD Averages