PROJECT #17309 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: these projects are replacing 17304-6, as 17304-6 had to be stopped due to work server issues.

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: 200,474

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Monday, 18 January 2021 18:17:14

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	5,942,475	259,475	22.90	1 ^hrs 3 ^mins
2	GeForce RTX 3080 10GB / 20GB GA102 [GeForce RTX 3080 10GB / 20GB]	Nvidia	GA102	4,569,805	236,618	19.31	1 ^hrs 15 ^mins
3	TITAN RTX TU102 [TITAN RTX] 16310	Nvidia	TU102	4,191,547	231,577	18.10	1 ^hrs 20 ^mins
4	GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448	Nvidia	TU102	4,128,923	230,632	17.90	1 ^hrs 20 ^mins
5	GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448	Nvidia	TU102	3,541,164	219,169	16.16	1 ^hrs 29 ^mins
6	Radeon RX 6800/6800 XT / 6900 XT Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]	AMD	Navi 21	3,230,572	209,461	15.42	2 ^hrs 33 ^mins
7	GeForce RTX 3070 GA104 [GeForce RTX 3070]	Nvidia	GA104	2,933,188	203,613	14.41	2 ^hrs 40 ^mins
8	Quadro RTX 6000/8000 TU102GL [Quadro RTX 6000/8000]	Nvidia	TU102GL	2,825,050	207,749	13.60	2 ^hrs 46 ^mins
9	GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068	Nvidia	TU104	2,728,169	201,144	13.56	2 ^hrs 46 ^mins
10	GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER]	Nvidia	TU104	2,604,434	195,723	13.31	2 ^hrs 48 ^mins
11	GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti]	Nvidia	GA104	2,578,869	197,551	13.05	2 ^hrs 50 ^mins
12	GeForce RTX 2080 TU104 [GeForce RTX 2080]	Nvidia	TU104	2,540,385	196,809	12.91	2 ^hrs 52 ^mins
13	TITAN Xp GP102 [TITAN Xp] 12150	Nvidia	GP102	2,485,843	195,627	12.71	2 ^hrs 53 ^mins
14	GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218	Nvidia	TU104	2,305,367	188,552	12.23	2 ^hrs 58 ^mins
15	GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER]	Nvidia	TU104	2,290,391	190,367	12.03	2 ^hrs 60 ^mins
16	GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465	Nvidia	TU106	2,007,693	181,199	11.08	2 ^hrs 10 ^mins
17	GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380	Nvidia	GP102	1,931,429	178,025	10.85	2 ^hrs 13 ^mins
18	GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER]	Nvidia	TU106	1,856,229	175,589	10.57	2 ^hrs 16 ^mins
19	GeForce RTX 2080 SUPER Mobile / Max-Q TU104M [GeForce RTX 2080 SUPER Mobile / Max-Q]	Nvidia	TU104M	1,792,566	175,501	10.21	2 ^hrs 21 ^mins
20	GeForce RTX 2070 Mobile TU106BM [GeForce RTX 2070 Mobile] 6636	Nvidia	TU106BM	1,767,446	174,889	10.11	2 ^hrs 22 ^mins
21	GeForce RTX 2060 KO TU106-200A [GeForce RTX 2060]	Nvidia	TU106-200A	1,677,667	171,709	9.77	2 ^hrs 27 ^mins
22	GeForce RTX 2060 TU104 [GeForce RTX 2060]	Nvidia	TU104	1,582,215	167,536	9.44	3 ^hrs 32 ^mins
23	GeForce RTX 2070 TU106 [GeForce RTX 2070] M 6497	Nvidia	TU106	1,576,059	163,826	9.62	2 ^hrs 30 ^mins
24	Quadro RTX 4000 TU104GL [Quadro RTX 4000]	Nvidia	TU104GL	1,566,595	166,382	9.42	3 ^hrs 33 ^mins
25	Radeon VII Vega 20 [Radeon VII] 13,284	AMD	Vega 20	1,546,769	164,568	9.40	3 ^hrs 33 ^mins
26	GeForce RTX 2060 TU106 [Geforce RTX 2060]	Nvidia	TU106	1,461,618	162,931	8.97	3 ^hrs 41 ^mins
27	GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873	Nvidia	GP104	1,225,975	152,916	8.02	3 ^hrs 60 ^mins
28	GeForce GTX Titan X GM200 [GeForce GTX Titan X] 6144	Nvidia	GM200	1,223,663	154,428	7.92	3 ^hrs 2 ^mins
29	GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186	Nvidia	GP104	1,132,044	149,743	7.56	3 ^hrs 10 ^mins
30	GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463	Nvidia	GP104	1,066,480	146,849	7.26	3 ^hrs 18 ^mins
31	GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER]	Nvidia	TU116	1,034,460	145,897	7.09	3 ^hrs 23 ^mins
32	Radeon RX Vega 56/64 Vega 10 XL/XT [Radeon RX Vega 56/64]	AMD	Vega 10 XL/XT	1,029,159	143,715	7.16	3 ^hrs 21 ^mins
33	GeForce GTX 980 Ti GM200 [GeForce GTX 980 Ti] 5632	Nvidia	GM200	956,594	141,057	6.78	4 ^hrs 32 ^mins
34	Radeon RX 5600/5600 XT - 5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT / 5700/5700 XT]	AMD	Navi 10	951,636	140,822	6.76	4 ^hrs 33 ^mins
35	GeForce RTX 2060 Mobile / Max-Q TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550	Nvidia	TU106M	936,309	139,598	6.71	4 ^hrs 35 ^mins
36	GeForce GTX 1660 Ti TU116 [GeForce GTX 1660 Ti]	Nvidia	TU116	877,142	137,978	6.36	4 ^hrs 47 ^mins
37	Radeon RX 5600 OEM/5600 XT/5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]	AMD	Navi 10	856,798	126,404	6.78	4 ^hrs 32 ^mins
38	GeForce GTX 1660 TU116 [GeForce GTX 1660]	Nvidia	TU116	694,788	125,730	5.53	4 ^hrs 21 ^mins
39	P104-100 GP104 [P104-100]	Nvidia	GP104	640,044	124,457	5.14	5 ^hrs 40 ^mins
40	GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372	Nvidia	GP106	635,197	123,030	5.16	5 ^hrs 39 ^mins
41	GeForce GTX 1070 GP104 [GeForce GTX 1070]	Nvidia	GP104	608,185	121,779	4.99	5 ^hrs 48 ^mins
42	GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935	Nvidia	GP106	572,830	118,644	4.83	5 ^hrs 58 ^mins
43	GeForce GTX 1650 Ti Mobile TU116M [GeForce GTX 1650 Ti Mobile]	Nvidia	TU116M	540,686	117,646	4.60	5 ^hrs 13 ^mins
44	Radeon R9 Fury X Fiji XT [Radeon R9 Fury X]	AMD	Fiji XT	528,008	115,384	4.58	5 ^hrs 15 ^mins
45	GeForce GTX 1650 SUPER TU116 [GeForce GTX 1650 SUPER]	Nvidia	TU116	512,448	114,598	4.47	5 ^hrs 22 ^mins
46	P106-100 GP106 [P106-100]	Nvidia	GP106	450,900	110,590	4.08	6 ^hrs 53 ^mins
47	Radeon RX 5500/5500M / Pro 5500M Navi 14 [Radeon RX 5500/5500M / Pro 5500M]	AMD	Navi 14	441,909	109,973	4.02	6 ^hrs 58 ^mins
48	Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590]	AMD	Ellesmere XT	435,886	107,390	4.06	6 ^hrs 55 ^mins
49	GeForce GTX 1650 TU116 [GeForce GTX 1650] 2984	Nvidia	TU116	435,836	108,779	4.01	6 ^hrs 59 ^mins
50	Radeon R9 200/300X Series Hawaii [Radeon R9 200/300X Series]	AMD	Hawaii	413,920	107,263	3.86	6 ^hrs 13 ^mins
51	Quadro P2200 GP106GL [Quadro P2200]	Nvidia	GP106GL	395,613	104,735	3.78	6 ^hrs 21 ^mins
52	GeForce GTX 1650 Mobile / Max-Q TU117M [GeForce GTX 1650 Mobile / Max-Q]	Nvidia	TU117M	390,848	105,756	3.70	6 ^hrs 30 ^mins
53	GeForce GTX 1050 Ti GP107 [GeForce GTX 1050 Ti] 2138	Nvidia	GP107	338,240	100,656	3.36	7 ^hrs 9 ^mins
54	Radeon R9 200/300 Series Hawaii [Radeon R9 200/300 Series]	AMD	Hawaii	320,912	96,811	3.31	7 ^hrs 14 ^mins
55	P106-090 GP106 [P106-090]	Nvidia	GP106	274,904	93,737	2.93	8 ^hrs 11 ^mins
56	Quadro T1000 Mobile TU117GLM [Quadro T1000 Mobile]	Nvidia	TU117GLM	266,824	93,074	2.87	8 ^hrs 22 ^mins
57	GeForce GTX 1050 LP GP107 [GeForce GTX 1050 LP] 1862	Nvidia	GP107	263,674	92,774	2.84	8 ^hrs 27 ^mins
58	Radeon R9 280/HD 7900/8950 Tahiti PRO [Radeon R9 280/HD 7900/8950]	AMD	Tahiti PRO	203,034	81,195	2.50	10 ^hrs 36 ^mins
59	Radeon RX 460 Baffin XT [Radeon RX 460]	AMD	Baffin XT	163,542	79,250	2.06	12 ^hrs 38 ^mins
60	Radeon R9 200 Series Hawaii [Radeon R9 200 Series]	AMD	Hawaii	151,422	76,600	1.98	12 ^hrs 8 ^mins
61	Radeon HD 7800 Pitcairn [Radeon HD 7800]	AMD	Pitcairn	134,493	73,997	1.82	13 ^hrs 12 ^mins
62	Radeon RX Vega M XL [Radeon RX Vega M XL]	AMD	Vega	109,471	57,790	1.89	13 ^hrs 40 ^mins
63	Radeon HD 7790 Bonaire XT [Radeon HD 7790]	AMD	Bonaire XT	102,861	65,826	1.56	15 ^hrs 22 ^mins
64	Polaris11 Baffin [Polaris11]	AMD	Baffin	93,529	64,594	1.45	17 ^hrs 35 ^mins
65	Radeon R7 250X/HD 7700/8760 R575A [Radeon R7 250X/HD 7700/8760]	AMD	R575A	65,971	58,226	1.13	21 ^hrs 11 ^mins
66	Ryzen vega 8 mobile Raven [Ryzen vega 8 mobile]	AMD	Raven	46,353	51,452	0.90	27 ^hrs 38 ^mins
67	Radeon RX Vega gfx902 raven [Radeon RX Vega gfx902]	AMD	raven	27,339	43,489	0.63	38 ^hrs 11 ^mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Monday, 18 January 2021 18:17:15

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

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