PROJECT #18114 RESEARCH FOR CANCER
FOLDING PERFORMANCE PROFILE

PROJECT SUMMARY

18110: simulation for the complex of KRas(G12D)-GDP-KRpep-2d, with the initial structure of peptide ligand in the known binding position, exploring the binding dynamics of the complex and binding poses. 18111: binding simulation for the complex of KRas(G12D)-GDP-KRpep-2d, with the initial structure of peptide ligand 35A away from the protein center, exploring if the correct binding pose will be observed through the simulation. 18112-18114: binding simulation for the complex of KRas(G12D)-GDP-peptide, the binding pocket and binding pose is unknown.

We start with 100 randomly sampled initial structures, in each structure, the ligand center is 40A away from the protein center, with random direction and rotation.

The simulation is aimed to identify potential binding pocket and binding poses of the peptide.

The interactions between KRas protein and the peptide would provide insights in designing small molecules that bind with KRas. This is a project run by Roivant Sciences (formerly Silicon Therapeutics) as was officially announced in this press release: https://foldingathome.org/2021/04/20/maximizing-the-impact-of-foldinghome-by-engaging-industry-collaborators/ All data is being made publicly available in real time at https://console.cloud.google.com/storage/browser/stxfah-bucket.

PROJECT INFO

Manager(s): Rafal Wiewiora

Institution: Roivant Sciences (Silicon Therapeutics)

Project URL: roivant.com

PROJECT WORK UNIT SUMMARY

Atoms: 34,970

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Monday, 23 May 2022 03:34:40

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	4,737,330	242,569	19.53	1 ^hrs 14 ^mins
2	GeForce RTX 3080 Ti GA102 [GeForce RTX 3080 Ti]	Nvidia	GA102	4,474,865	238,304	18.78	1 ^hrs 17 ^mins
3	GeForce RTX 3080 Lite Hash Rate GA102 [GeForce RTX 3080 Lite Hash Rate]	Nvidia	GA102	4,044,033	230,093	17.58	1 ^hrs 22 ^mins
4	GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448	Nvidia	TU102	3,881,812	226,875	17.11	1 ^hrs 24 ^mins
5	GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448	Nvidia	TU102	3,340,909	215,781	15.48	2 ^hrs 33 ^mins
6	GeForce RTX 3080 GA102 [GeForce RTX 3080]	Nvidia	GA102	3,308,527	213,458	15.50	2 ^hrs 33 ^mins
7	GeForce RTX 3070 Ti GA104 [GeForce RTX 3070 Ti]	Nvidia	GA104	3,152,698	212,363	14.85	2 ^hrs 37 ^mins
8	GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068	Nvidia	TU104	3,094,195	210,995	14.66	2 ^hrs 38 ^mins
9	GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti]	Nvidia	GA104	3,012,579	209,207	14.40	2 ^hrs 40 ^mins
10	GeForce RTX 3070 GA104 [GeForce RTX 3070]	Nvidia	GA104	2,879,927	206,194	13.97	2 ^hrs 43 ^mins
11	TITAN Xp GP102 [TITAN Xp] 12150	Nvidia	GP102	2,857,890	205,254	13.92	2 ^hrs 43 ^mins
12	GeForce RTX 3060 Ti Lite Hash Rate GA104 [GeForce RTX 3060 Ti Lite Hash Rate]	Nvidia	GA104	2,667,153	200,168	13.32	2 ^hrs 48 ^mins
13	GeForce RTX 3070 Lite Hash Rate GA104 [GeForce RTX 3070 Lite Hash Rate]	Nvidia	GA104	2,644,172	200,144	13.21	2 ^hrs 49 ^mins
14	GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218	Nvidia	TU104	2,616,378	199,809	13.09	2 ^hrs 50 ^mins
15	RTX A4000 GA104GL [RTX A4000]	Nvidia	GA104GL	2,452,347	194,890	12.58	2 ^hrs 54 ^mins
16	GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380	Nvidia	GP102	2,385,413	190,758	12.50	2 ^hrs 55 ^mins
17	GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER]	Nvidia	TU104	2,222,160	188,651	11.78	2 ^hrs 2 ^mins
18	GeForce RTX 2080 TU104 [GeForce RTX 2080]	Nvidia	TU104	2,113,122	185,686	11.38	2 ^hrs 7 ^mins
19	Radeon RX 6800/6800 XT / 6900 XT Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]	AMD	Navi 21	2,010,822	182,209	11.04	2 ^hrs 10 ^mins
20	GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465	Nvidia	TU106	2,006,881	182,823	10.98	2 ^hrs 11 ^mins
21	Radeon RX 6900 XT Navi 21 [Radeon RX 6900 XT]	AMD	Navi 21	1,933,089	180,536	10.71	2 ^hrs 14 ^mins
22	GeForce RTX 2070 TU106 [GeForce RTX 2070] M 6497	Nvidia	TU106	1,826,187	181,409	10.07	2 ^hrs 23 ^mins
23	GeForce RTX 3070 Mobile / Max-Q 8GB/16GB GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]	Nvidia	GA104M	1,783,321	175,952	10.14	2 ^hrs 22 ^mins
24	GeForce RTX 3060 GA106 [GeForce RTX 3060]	Nvidia	GA106	1,774,865	175,472	10.11	2 ^hrs 22 ^mins
25	GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER]	Nvidia	TU106	1,733,136	173,997	9.96	2 ^hrs 25 ^mins
26	Quadro RTX 4000 TU104GL [Quadro RTX 4000]	Nvidia	TU104GL	1,716,106	173,184	9.91	2 ^hrs 25 ^mins
27	GeForce RTX 2060 TU106 [Geforce RTX 2060]	Nvidia	TU106	1,671,886	172,345	9.70	2 ^hrs 28 ^mins
28	GeForce RTX 3060 Lite Hash Rate GA106 [GeForce RTX 3060 Lite Hash Rate]	Nvidia	GA106	1,669,971	170,623	9.79	2 ^hrs 27 ^mins
29	GeForce RTX 2060 TU104 [GeForce RTX 2060]	Nvidia	TU104	1,494,408	165,662	9.02	3 ^hrs 40 ^mins
30	GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186	Nvidia	GP104	1,423,665	163,216	8.72	3 ^hrs 45 ^mins
31	GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873	Nvidia	GP104	1,323,722	158,662	8.34	3 ^hrs 53 ^mins
32	Radeon RX 5600 OEM/5600 XT/5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]	AMD	Navi 10	1,199,095	153,584	7.81	3 ^hrs 4 ^mins
33	GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463	Nvidia	GP104	1,192,596	153,692	7.76	3 ^hrs 6 ^mins
34	GeForce GTX 1660 Ti TU116 [GeForce GTX 1660 Ti]	Nvidia	TU116	1,192,053	153,856	7.75	3 ^hrs 6 ^mins
35	Radeon VII Vega 20 [Radeon VII] 13,284	AMD	Vega 20	1,169,113	151,973	7.69	3 ^hrs 7 ^mins
36	GeForce RTX 2060 Mobile TU106M [GeForce RTX 2060 Mobile]	Nvidia	TU106M	1,064,055	148,801	7.15	3 ^hrs 21 ^mins
37	GeForce GTX 1660 TU116 [GeForce GTX 1660]	Nvidia	TU116	1,003,285	144,250	6.96	3 ^hrs 27 ^mins
38	Radeon RX 6700/6700 XT / 6800M Navi 22 [Radeon RX 6700/6700 XT / 6800M]	AMD	Navi 22	962,629	138,740	6.94	3 ^hrs 28 ^mins
39	GeForce RTX 3050 Ti Mobile GA107M [GeForce RTX 3050 Ti Mobile]	Nvidia	GA107M	927,250	141,163	6.57	4 ^hrs 39 ^mins
40	GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER]	Nvidia	TU116	921,418	136,394	6.76	4 ^hrs 33 ^mins
41	Radeon RX Vega 56/64 Vega 10 XL/XT [Radeon RX Vega 56/64]	AMD	Vega 10 XL/XT	912,502	140,504	6.49	4 ^hrs 42 ^mins
42	RTX A2000 Mobile GA107GLM [RTX A2000 Mobile]	Nvidia	GA107GLM	881,633	138,647	6.36	4 ^hrs 46 ^mins
43	GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372	Nvidia	GP106	866,086	135,032	6.41	4 ^hrs 45 ^mins
44	GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935	Nvidia	GP106	698,500	128,663	5.43	4 ^hrs 25 ^mins
45	Quadro P2200 GP106GL [Quadro P2200]	Nvidia	GP106GL	683,604	127,819	5.35	4 ^hrs 29 ^mins
46	GeForce GTX 1060 Mobile GP106M [GeForce GTX 1060 Mobile]	Nvidia	GP106M	593,863	119,191	4.98	5 ^hrs 49 ^mins
47	GeForce GTX 970 GM204 [GeForce GTX 970] 3494	Nvidia	GM204	585,242	121,336	4.82	5 ^hrs 59 ^mins
48	GeForce GTX 1650 Ti Mobile TU117M [GeForce GTX 1650 Ti Mobile]	Nvidia	TU117M	541,657	118,423	4.57	5 ^hrs 15 ^mins
49	GeForce GTX 1650 Mobile / Max-Q TU117M [GeForce GTX 1650 Mobile / Max-Q]	Nvidia	TU117M	474,022	111,192	4.26	6 ^hrs 38 ^mins
50	Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590]	AMD	Ellesmere XT	454,781	110,812	4.10	6 ^hrs 51 ^mins
51	Radeon RX 5500/5500M / Pro 5500M Navi 14 [Radeon RX 5500/5500M / Pro 5500M]	AMD	Navi 14	429,020	108,505	3.95	6 ^hrs 4 ^mins
52	Radeon R9 Fury X Fiji XT [Radeon R9 Fury X]	AMD	Fiji XT	386,743	96,971	3.99	6 ^hrs 1 ^mins
53	GeForce GTX 960 GM206 [GeForce GTX 960] 2308	Nvidia	GM206	354,781	102,613	3.46	7 ^hrs 56 ^mins
54	P104-100 GP104 [P104-100]	Nvidia	GP104	313,156	98,337	3.18	8 ^hrs 32 ^mins
55	P106-090 GP106 [P106-090]	Nvidia	GP106	291,531	96,070	3.03	8 ^hrs 55 ^mins
56	GeForce GTX 770 GK104 [GeForce GTX 770] 3213	Nvidia	GK104	282,555	95,493	2.96	8 ^hrs 7 ^mins
57	P106-100 GP106 [P106-100]	Nvidia	GP106	270,852	93,900	2.88	8 ^hrs 19 ^mins
58	GeForce GTX 680 GK104 [GeForce GTX 680] 3250	Nvidia	GK104	254,869	92,043	2.77	9 ^hrs 40 ^mins
59	GeForce GTX 950 GM206 [GeForce GTX 950] 1572	Nvidia	GM206	253,929	90,722	2.80	9 ^hrs 34 ^mins
60	GeForce GTX 1050 Ti Mobile GP107M [GeForce GTX 1050 Ti Mobile]	Nvidia	GP107M	248,642	91,248	2.72	9 ^hrs 48 ^mins
61	Radeon RX 6600/6600 XT/6600M Navi 23 [Radeon RX 6600/6600 XT/6600M]	AMD	Navi 23	180,034	57,350	3.14	8 ^hrs 39 ^mins
62	GeForce GTX 750 Ti GM107 [GeForce GTX 750 Ti] 1389	Nvidia	GM107	132,326	65,971	2.01	12 ^hrs 58 ^mins
63	GeForce 940MX GM107 [GeForce 940MX]	Nvidia	GM107	46,404	45,384	1.02	23 ^hrs 28 ^mins
64	GeForce GT 1030 GP108 [GeForce GT 1030] 1127	Nvidia	GP108	37,660	45,384	0.83	29 ^hrs 55 ^mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Monday, 23 May 2022 03:34:40

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

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