PROJECT #18113 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: 42,674

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Friday, 03 December 2021 04:36:08

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	4,867,528	253,474	19.20	1 ^hrs 15 ^mins
2	GeForce RTX 3080 Ti GA102 [GeForce RTX 3080 Ti]	Nvidia	GA102	4,390,875	242,481	18.11	1 ^hrs 20 ^mins
3	GeForce RTX 3080 Lite Hash Rate GA102 [GeForce RTX 3080 Lite Hash Rate]	Nvidia	GA102	4,176,286	239,738	17.42	1 ^hrs 23 ^mins
4	GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448	Nvidia	TU102	3,614,403	225,463	16.03	1 ^hrs 30 ^mins
5	GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448	Nvidia	TU102	3,432,614	224,958	15.26	2 ^hrs 34 ^mins
6	GeForce RTX 3070 Ti GA104 [GeForce RTX 3070 Ti]	Nvidia	GA104	3,203,084	220,041	14.56	2 ^hrs 39 ^mins
7	GeForce RTX 3070 GA104 [GeForce RTX 3070]	Nvidia	GA104	3,050,894	215,212	14.18	2 ^hrs 42 ^mins
8	GeForce RTX 3080 GA102 [GeForce RTX 3080]	Nvidia	GA102	2,960,712	207,361	14.28	2 ^hrs 41 ^mins
9	GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068	Nvidia	TU104	2,909,728	214,051	13.59	2 ^hrs 46 ^mins
10	TITAN Xp GP102 [TITAN Xp] 12150	Nvidia	GP102	2,899,045	213,984	13.55	2 ^hrs 46 ^mins
11	GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti]	Nvidia	GA104	2,886,080	212,697	13.57	2 ^hrs 46 ^mins
12	GeForce RTX 3060 Ti Lite Hash Rate GA104 [GeForce RTX 3060 Ti Lite Hash Rate]	Nvidia	GA104	2,814,142	211,126	13.33	2 ^hrs 48 ^mins
13	GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218	Nvidia	TU104	2,503,359	202,802	12.34	2 ^hrs 57 ^mins
14	GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380	Nvidia	GP102	2,462,110	202,266	12.17	2 ^hrs 58 ^mins
15	Radeon RX 6800/6800 XT / 6900 XT Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]	AMD	Navi 21	2,371,156	199,482	11.89	2 ^hrs 1 ^mins
16	GeForce RTX 3070 Lite Hash Rate GA104 [GeForce RTX 3070 Lite Hash Rate]	Nvidia	GA104	2,365,397	199,854	11.84	2 ^hrs 2 ^mins
17	GeForce RTX 2080 TU104 [GeForce RTX 2080]	Nvidia	TU104	2,322,105	198,797	11.68	2 ^hrs 3 ^mins
18	GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465	Nvidia	TU106	2,280,697	197,163	11.57	2 ^hrs 4 ^mins
19	GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER]	Nvidia	TU104	2,277,879	197,184	11.55	2 ^hrs 5 ^mins
20	Radeon RX 6900 XT Navi 21 [Radeon RX 6900 XT]	AMD	Navi 21	2,061,370	190,724	10.81	2 ^hrs 13 ^mins
21	GeForce RTX 3070 Mobile / Max-Q 8GB/16GB GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]	Nvidia	GA104M	1,878,634	185,054	10.15	2 ^hrs 22 ^mins
22	GeForce RTX 3060 Mobile / Max-Q GA106M [GeForce RTX 3060 Mobile / Max-Q]	Nvidia	GA106M	1,855,690	185,133	10.02	2 ^hrs 24 ^mins
23	GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER]	Nvidia	TU106	1,821,108	183,167	9.94	2 ^hrs 25 ^mins
24	GeForce RTX 3060 GA106 [GeForce RTX 3060]	Nvidia	GA106	1,791,090	171,857	10.42	2 ^hrs 18 ^mins
25	GeForce RTX 2070 TU106 [GeForce RTX 2070] M 6497	Nvidia	TU106	1,763,328	181,440	9.72	2 ^hrs 28 ^mins
26	GeForce RTX 3060 Lite Hash Rate GA106 [GeForce RTX 3060 Lite Hash Rate]	Nvidia	GA106	1,741,962	180,378	9.66	2 ^hrs 29 ^mins
27	GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873	Nvidia	GP104	1,623,098	176,146	9.21	3 ^hrs 36 ^mins
28	GeForce RTX 2060 TU104 [GeForce RTX 2060]	Nvidia	TU104	1,564,569	174,025	8.99	3 ^hrs 40 ^mins
29	GeForce RTX 2060 Mobile TU106M [GeForce RTX 2060 Mobile]	Nvidia	TU106M	1,474,556	171,343	8.61	3 ^hrs 47 ^mins
30	GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186	Nvidia	GP104	1,395,058	167,696	8.32	3 ^hrs 53 ^mins
31	Radeon VII Vega 20 [Radeon VII] 13,284	AMD	Vega 20	1,264,954	162,019	7.81	3 ^hrs 4 ^mins
32	GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463	Nvidia	GP104	1,252,836	161,681	7.75	3 ^hrs 6 ^mins
33	GeForce RTX 2060 Mobile / Max-Q TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550	Nvidia	TU106M	1,167,885	146,237	7.99	3 ^hrs 0 ^mins
34	GeForce GTX 1660 Ti TU116 [GeForce GTX 1660 Ti]	Nvidia	TU116	1,121,654	155,936	7.19	3 ^hrs 20 ^mins
35	Radeon RX 5600 OEM/5600 XT/5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]	AMD	Navi 10	1,015,285	144,037	7.05	3 ^hrs 24 ^mins
36	GeForce GTX 1660 TU116 [GeForce GTX 1660]	Nvidia	TU116	1,010,470	150,597	6.71	4 ^hrs 35 ^mins
37	GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER]	Nvidia	TU116	1,009,715	149,182	6.77	4 ^hrs 33 ^mins
38	Radeon RX Vega 56/64 Vega 10 XL/XT [Radeon RX Vega 56/64]	AMD	Vega 10 XL/XT	974,032	148,910	6.54	4 ^hrs 40 ^mins
39	RTX A2000 Mobile GA107GLM [RTX A2000 Mobile]		GA107GLM	962,400	148,781	6.47	4 ^hrs 43 ^mins
40	Radeon RX 6700/6700 XT / 6800M Navi 22 [Radeon RX 6700/6700 XT / 6800M]	AMD	Navi 22	923,511	144,115	6.41	4 ^hrs 45 ^mins
41	GeForce RTX 3050 Ti Mobile GA107M [GeForce RTX 3050 Ti Mobile]	Nvidia	GA107M	833,086	138,520	6.01	4 ^hrs 59 ^mins
42	GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372	Nvidia	GP106	797,731	139,289	5.73	4 ^hrs 11 ^mins
43	GeForce GTX 980 GM204 [GeForce GTX 980] 4612	Nvidia	GM204	758,227	136,763	5.54	4 ^hrs 20 ^mins
44	GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935	Nvidia	GP106	750,876	136,379	5.51	4 ^hrs 22 ^mins
45	GeForce GTX 1070 Mobile GP104BM [GeForce GTX 1070 Mobile] 6463	Nvidia	GP104BM	708,010	133,376	5.31	5 ^hrs 31 ^mins
46	GeForce GTX 1060 Mobile GP106M [GeForce GTX 1060 Mobile]	Nvidia	GP106M	686,247	132,768	5.17	5 ^hrs 39 ^mins
47	GeForce GTX 970 GM204 [GeForce GTX 970] 3494	Nvidia	GM204	642,895	129,571	4.96	5 ^hrs 50 ^mins
48	Radeon RX 5500/5500M / Pro 5500M Navi 14 [Radeon RX 5500/5500M / Pro 5500M]	AMD	Navi 14	439,484	107,144	4.10	6 ^hrs 51 ^mins
49	Radeon R9 Fury X Fiji XT [Radeon R9 Fury X]	AMD	Fiji XT	419,670	101,374	4.14	6 ^hrs 48 ^mins
50	Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590]	AMD	Ellesmere XT	403,967	108,703	3.72	6 ^hrs 27 ^mins
51	GeForce GTX 960 GM206 [GeForce GTX 960] 2308	Nvidia	GM206	362,041	106,787	3.39	7 ^hrs 5 ^mins
52	GeForce GTX 770 GK104 [GeForce GTX 770] 3213	Nvidia	GK104	323,958	103,164	3.14	8 ^hrs 39 ^mins
53	P106-090 GP106 [P106-090]	Nvidia	GP106	289,136	99,327	2.91	8 ^hrs 15 ^mins
54	P106-100 GP106 [P106-100]	Nvidia	GP106	279,246	98,203	2.84	8 ^hrs 26 ^mins
55	P104-100 GP104 [P104-100]	Nvidia	GP104	277,616	98,104	2.83	8 ^hrs 29 ^mins
56	GeForce GTX 950 GM206 [GeForce GTX 950] 1572	Nvidia	GM206	274,690	97,941	2.80	9 ^hrs 33 ^mins
57	GeForce GTX 680 GK104 [GeForce GTX 680] 3250	Nvidia	GK104	255,368	95,283	2.68	9 ^hrs 57 ^mins
58	Radeon HD 7800 Pitcairn [Radeon HD 7800]	AMD	Pitcairn	194,941	85,150	2.29	10 ^hrs 29 ^mins
59	GTX 650 Ti Boost GK106 [GTX 650 Ti Boost]	Nvidia	GK106	82,857	47,780	1.73	14 ^hrs 50 ^mins
60	GeForce GT 1030 GP108 [GeForce GT 1030] 1127	Nvidia	GP108	39,275	47,780	0.82	29 ^hrs 12 ^mins
61	FirePro W2100 Oland GL [FirePro W2100]	AMD	Oland GL	24,800	47,780	0.52	46 ^hrs 14 ^mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Friday, 03 December 2021 04:36:08

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

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