PROJECT #17328 RESEARCH FOR COVID-19
FOLDING PERFORMANCE PROFILE

PROJECT SUMMARY

These projects involve the SARS-CoV-2 receptor binding domain (RBD) and its target receptor in humans, ACE2. We are simulating these proteins alone and in complex with each other (and with and without glycosylation). We will build Markov State Models using the Fah simulation data, which will help us identify the metastable states of each protein/protein complex. Given these experiments, we hope to be able to explain the impact of glycosylation on RBD conformational dynamics as well as identify whether there are shifts in metastable states upon RBD:ACE2 binding. Ultimately, the knowledge gained here will help infom drug design efforts.

Note: 17313-6 replace 17307-9, as 17307-9 used a different, less stable integrator.

PROJECT INFO

Manager(s): Ivy Zhang

Institution: Memorial Sloan Kettering Cancer Center

Project URL: http://www.choderalab.org/members/#ivy-zhang

PROJECT WORK UNIT SUMMARY

Atoms: 143,492

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Friday, 03 December 2021 04:36:09

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	5,899,119	231,880	25.44	1 ^hrs 57 ^mins
2	GeForce RTX 3080 10GB / 20GB GA102 [GeForce RTX 3080 10GB / 20GB]	Nvidia	GA102	5,429,480	226,908	23.93	1 ^hrs 0 ^mins
3	GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448	Nvidia	TU102	4,279,906	210,258	20.36	1 ^hrs 11 ^mins
4	Radeon RX 6800/6800 XT / 6900 XT Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]	AMD	Navi 21	4,257,847	210,313	20.25	1 ^hrs 11 ^mins
5	GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448	Nvidia	TU102	3,649,579	199,832	18.26	1 ^hrs 19 ^mins
6	GeForce RTX 3070 GA104 [GeForce RTX 3070]	Nvidia	GA104	3,189,747	190,226	16.77	1 ^hrs 26 ^mins
7	GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068	Nvidia	TU104	2,966,806	188,312	15.75	2 ^hrs 31 ^mins
8	GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER]	Nvidia	TU104	2,803,341	182,650	15.35	2 ^hrs 34 ^mins
9	GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218	Nvidia	TU104	2,567,356	177,806	14.44	2 ^hrs 40 ^mins
10	GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti]	Nvidia	GA104	2,508,943	174,556	14.37	2 ^hrs 40 ^mins
11	GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465	Nvidia	TU106	2,480,026	175,374	14.14	2 ^hrs 42 ^mins
12	GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380	Nvidia	GP102	2,407,349	173,889	13.84	2 ^hrs 44 ^mins
13	GeForce RTX 2080 TU104 [GeForce RTX 2080]	Nvidia	TU104	2,382,678	173,462	13.74	2 ^hrs 45 ^mins
14	GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER]	Nvidia	TU106	1,974,823	161,972	12.19	2 ^hrs 58 ^mins
15	GeForce RTX 2070 TU106 [GeForce RTX 2070] M 6497	Nvidia	TU106	1,756,666	157,110	11.18	2 ^hrs 9 ^mins
16	GeForce RTX 2060 TU104 [GeForce RTX 2060]	Nvidia	TU104	1,722,291	155,793	11.05	2 ^hrs 10 ^mins
17	GeForce RTX 2060 TU106 [Geforce RTX 2060]	Nvidia	TU106	1,613,562	152,297	10.59	2 ^hrs 16 ^mins
18	Quadro RTX 4000 TU104GL [Quadro RTX 4000]	Nvidia	TU104GL	1,612,803	152,494	10.58	2 ^hrs 16 ^mins
19	TITAN Xp GP102 [TITAN Xp] 12150	Nvidia	GP102	1,488,695	148,180	10.05	2 ^hrs 23 ^mins
20	GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873	Nvidia	GP104	1,368,927	143,605	9.53	3 ^hrs 31 ^mins
21	Radeon RX Vega 56/64 Vega 10 XL/XT [Radeon RX Vega 56/64]	AMD	Vega 10 XL/XT	1,331,308	142,752	9.33	3 ^hrs 34 ^mins
22	GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186	Nvidia	GP104	1,277,852	141,136	9.05	3 ^hrs 39 ^mins
23	GeForce RTX 2060 Mobile TU106M [GeForce RTX 2060 Mobile]	Nvidia	TU106M	1,185,467	136,267	8.70	3 ^hrs 46 ^mins
24	GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463	Nvidia	GP104	1,156,236	135,426	8.54	3 ^hrs 49 ^mins
25	GeForce GTX 980 Ti GM200 [GeForce GTX 980 Ti] 5632	Nvidia	GM200	1,109,898	134,328	8.26	3 ^hrs 54 ^mins
26	GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER]	Nvidia	TU116	1,109,466	133,687	8.30	3 ^hrs 54 ^mins
27	GeForce GTX 1660 Ti TU116 [GeForce GTX 1660 Ti]	Nvidia	TU116	1,090,801	132,746	8.22	3 ^hrs 55 ^mins
28	Radeon RX 5600 OEM/5600 XT/5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]	AMD	Navi 10	1,061,011	131,319	8.08	3 ^hrs 58 ^mins
29	GeForce GTX 1660 TU116 [GeForce GTX 1660]	Nvidia	TU116	857,404	123,819	6.92	3 ^hrs 28 ^mins
30	GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372	Nvidia	GP106	724,829	116,732	6.21	4 ^hrs 52 ^mins
31	Radeon R9 Fury X Fiji XT [Radeon R9 Fury X]	AMD	Fiji XT	668,113	113,214	5.90	4 ^hrs 4 ^mins
32	P104-100 GP104 [P104-100]	Nvidia	GP104	645,312	112,374	5.74	4 ^hrs 11 ^mins
33	GeForce GTX 1650 SUPER TU116 [GeForce GTX 1650 SUPER]	Nvidia	TU116	634,468	111,874	5.67	4 ^hrs 14 ^mins
34	GeForce GTX 1650 Ti Mobile TU116M [GeForce GTX 1650 Ti Mobile]	Nvidia	TU116M	626,573	111,460	5.62	4 ^hrs 16 ^mins
35	GeForce GTX 1070 GP104 [GeForce GTX 1070]	Nvidia	GP104	619,521	110,390	5.61	4 ^hrs 17 ^mins
36	GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935	Nvidia	GP106	588,447	108,345	5.43	4 ^hrs 25 ^mins
37	Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590]	AMD	Ellesmere XT	549,407	100,508	5.47	4 ^hrs 23 ^mins
38	Radeon RX 5500/5500M / Pro 5500M Navi 14 [Radeon RX 5500/5500M / Pro 5500M]	AMD	Navi 14	504,660	98,860	5.10	5 ^hrs 42 ^mins
39	Radeon R9 200/300X Series Hawaii [Radeon R9 200/300X Series]	AMD	Hawaii	498,395	103,042	4.84	5 ^hrs 58 ^mins
40	Quadro T2000 Mobile / Max-Q TU117GLM [Quadro T2000 Mobile / Max-Q]	Nvidia	TU117GLM	462,955	100,732	4.60	5 ^hrs 13 ^mins
41	P106-100 GP106 [P106-100]	Nvidia	GP106	440,515	99,011	4.45	5 ^hrs 24 ^mins
42	GeForce GTX 1650 Mobile / Max-Q TU117M [GeForce GTX 1650 Mobile / Max-Q]	Nvidia	TU117M	433,312	98,706	4.39	5 ^hrs 28 ^mins
43	GeForce GTX 1650 TU116 [GeForce GTX 1650] 2984	Nvidia	TU116	431,418	98,223	4.39	5 ^hrs 28 ^mins
44	Radeon R9 280/HD 7900/8950 Tahiti PRO [Radeon R9 280/HD 7900/8950]	AMD	Tahiti PRO	309,860	87,785	3.53	7 ^hrs 48 ^mins
45	P106-090 GP106 [P106-090]	Nvidia	GP106	275,235	84,644	3.25	7 ^hrs 23 ^mins
46	Radeon R9 200/300 Series Tonga [Radeon R9 200/300 Series]	AMD	Tonga	262,755	83,115	3.16	8 ^hrs 36 ^mins
47	Radeon HD 7800 Pitcairn [Radeon HD 7800]	AMD	Pitcairn	176,054	72,925	2.41	10 ^hrs 56 ^mins
48	Radeon RX Vega M XL [Radeon RX Vega M XL]	AMD	Vega	176,032	64,129	2.74	9 ^hrs 45 ^mins
49	Radeon R7/R6 360 Series Bonaire [Radeon R7/R6 360 Series]	AMD	Bonaire	89,586	57,907	1.55	16 ^hrs 31 ^mins
50	Radeon R7 200 Series Hawaii [Radeon R7 200 Series]	AMD	Hawaii	56,335	38,054	1.48	16 ^hrs 13 ^mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Friday, 03 December 2021 04:36:09

Rank Project	CPU Model	Logical Processors (LP)	PPD-PLP AVG PPD per 1 LP	ALL LP-PPD (Estimated)	Make

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