PROJECT #18112 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: 38,678

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	4,390,265	224,350	19.57	1 ^hrs 14 ^mins
2	GeForce RTX 3080 Ti GA102 [GeForce RTX 3080 Ti]	Nvidia	GA102	4,202,964	221,493	18.98	1 ^hrs 16 ^mins
3	GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448	Nvidia	TU102	3,469,446	208,256	16.66	1 ^hrs 26 ^mins
4	GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448	Nvidia	TU102	3,351,662	205,968	16.27	1 ^hrs 28 ^mins
5	GeForce RTX 3080 GA102 [GeForce RTX 3080]	Nvidia	GA102	3,250,454	202,162	16.08	1 ^hrs 30 ^mins
6	GeForce RTX 3080 Lite Hash Rate GA102 [GeForce RTX 3080 Lite Hash Rate]	Nvidia	GA102	3,229,590	185,716	17.39	1 ^hrs 23 ^mins
7	GeForce RTX 3070 Ti GA104 [GeForce RTX 3070 Ti]	Nvidia	GA104	2,983,594	198,889	15.00	2 ^hrs 36 ^mins
8	GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068	Nvidia	TU104	2,766,619	193,957	14.26	2 ^hrs 41 ^mins
9	GeForce RTX 3070 GA104 [GeForce RTX 3070]	Nvidia	GA104	2,762,798	193,803	14.26	2 ^hrs 41 ^mins
10	GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti]	Nvidia	GA104	2,733,284	192,654	14.19	2 ^hrs 41 ^mins
11	TITAN Xp GP102 [TITAN Xp] 12150	Nvidia	GP102	2,715,610	192,821	14.08	2 ^hrs 42 ^mins
12	GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218	Nvidia	TU104	2,434,681	185,591	13.12	2 ^hrs 50 ^mins
13	GeForce RTX 3060 Ti Lite Hash Rate GA104 [GeForce RTX 3060 Ti Lite Hash Rate]	Nvidia	GA104	2,388,934	183,972	12.99	2 ^hrs 51 ^mins
14	GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER]	Nvidia	TU104	2,274,058	181,351	12.54	2 ^hrs 55 ^mins
15	GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380	Nvidia	GP102	2,203,919	179,786	12.26	2 ^hrs 57 ^mins
16	GeForce RTX 2080 TU104 [GeForce RTX 2080]	Nvidia	TU104	2,199,098	179,503	12.25	2 ^hrs 58 ^mins
17	Radeon RX 6800/6800 XT / 6900 XT Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]	AMD	Navi 21	2,085,306	173,828	12.00	2 ^hrs 0 ^mins
18	GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465	Nvidia	TU106	1,976,574	173,481	11.39	2 ^hrs 6 ^mins
19	GeForce RTX 3070 Lite Hash Rate GA104 [GeForce RTX 3070 Lite Hash Rate]	Nvidia	GA104	1,930,706	170,034	11.35	2 ^hrs 7 ^mins
20	GeForce RTX 3070 Mobile / Max-Q 8GB/16GB GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]	Nvidia	GA104M	1,904,671	170,223	11.19	2 ^hrs 9 ^mins
21	Radeon RX 6900 XT Navi 21 [Radeon RX 6900 XT]	AMD	Navi 21	1,899,714	171,180	11.10	2 ^hrs 10 ^mins
22	GeForce RTX 3060 Lite Hash Rate GA106 [GeForce RTX 3060 Lite Hash Rate]	Nvidia	GA106	1,789,757	167,732	10.67	2 ^hrs 15 ^mins
23	GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER]	Nvidia	TU106	1,788,410	167,603	10.67	2 ^hrs 15 ^mins
24	GeForce RTX 3060 GA106 [GeForce RTX 3060]	Nvidia	GA106	1,682,267	164,308	10.24	2 ^hrs 21 ^mins
25	GeForce RTX 2070 TU106 [GeForce RTX 2070] M 6497	Nvidia	TU106	1,613,151	162,354	9.94	2 ^hrs 25 ^mins
26	GeForce RTX 2060 TU104 [GeForce RTX 2060]	Nvidia	TU104	1,434,642	155,883	9.20	3 ^hrs 36 ^mins
27	GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873	Nvidia	GP104	1,373,754	154,105	8.91	3 ^hrs 42 ^mins
28	GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186	Nvidia	GP104	1,307,524	150,790	8.67	3 ^hrs 46 ^mins
29	GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463	Nvidia	GP104	1,173,971	145,630	8.06	3 ^hrs 59 ^mins
30	Radeon VII Vega 20 [Radeon VII] 13,284	AMD	Vega 20	1,112,229	142,937	7.78	3 ^hrs 5 ^mins
31	GeForce GTX 1660 Ti TU116 [GeForce GTX 1660 Ti]	Nvidia	TU116	1,100,285	142,283	7.73	3 ^hrs 6 ^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	1,081,240	140,780	7.68	3 ^hrs 7 ^mins
33	GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER]	Nvidia	TU116	1,032,135	138,913	7.43	3 ^hrs 14 ^mins
34	Radeon RX 6700/6700 XT / 6800M Navi 22 [Radeon RX 6700/6700 XT / 6800M]	AMD	Navi 22	1,016,565	136,427	7.45	3 ^hrs 13 ^mins
35	GeForce RTX 3050 Ti Mobile GA107M [GeForce RTX 3050 Ti Mobile]	Nvidia	GA107M	958,186	135,759	7.06	3 ^hrs 24 ^mins
36	GeForce GTX 1660 TU116 [GeForce GTX 1660]	Nvidia	TU116	924,878	134,627	6.87	3 ^hrs 30 ^mins
37	Radeon RX Vega 56/64 Vega 10 XL/XT [Radeon RX Vega 56/64]	AMD	Vega 10 XL/XT	886,618	133,129	6.66	4 ^hrs 36 ^mins
38	RTX A2000 Mobile GA107GLM [RTX A2000 Mobile]		GA107GLM	837,751	130,853	6.40	4 ^hrs 45 ^mins
39	GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372	Nvidia	GP106	800,803	128,265	6.24	4 ^hrs 51 ^mins
40	GeForce GTX 980 GM204 [GeForce GTX 980] 4612	Nvidia	GM204	747,949	120,605	6.20	4 ^hrs 52 ^mins
41	GeForce GTX 1070 Mobile GP104BM [GeForce GTX 1070 Mobile] 6463	Nvidia	GP104BM	725,506	124,279	5.84	4 ^hrs 7 ^mins
42	Quadro P2200 GP106GL [Quadro P2200]	Nvidia	GP106GL	666,818	120,997	5.51	4 ^hrs 21 ^mins
43	GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935	Nvidia	GP106	645,758	119,534	5.40	4 ^hrs 27 ^mins
44	GeForce GTX 1650 TU117 [GeForce GTX 1650] 3091	Nvidia	TU117	614,589	118,081	5.20	5 ^hrs 37 ^mins
45	GeForce GTX 1060 Mobile GP106M [GeForce GTX 1060 Mobile]	Nvidia	GP106M	591,294	115,997	5.10	5 ^hrs 42 ^mins
46	GeForce GTX 970 GM204 [GeForce GTX 970] 3494	Nvidia	GM204	572,879	111,461	5.14	5 ^hrs 40 ^mins
47	GeForce GTX 1650 TU117 [GeForce GTX 1650]	Nvidia	TU117	536,683	111,185	4.83	5 ^hrs 58 ^mins
48	Radeon R9 Fury X Fiji XT [Radeon R9 Fury X]	AMD	Fiji XT	437,846	104,674	4.18	6 ^hrs 44 ^mins
49	Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590]	AMD	Ellesmere XT	420,764	103,088	4.08	6 ^hrs 53 ^mins
50	GeForce GTX 1650 Mobile / Max-Q TU117M [GeForce GTX 1650 Mobile / Max-Q]	Nvidia	TU117M	417,059	103,543	4.03	6 ^hrs 58 ^mins
51	GeForce GTX 960 GM206 [GeForce GTX 960] 2308	Nvidia	GM206	336,650	95,910	3.51	7 ^hrs 50 ^mins
52	P104-100 GP104 [P104-100]	Nvidia	GP104	305,133	93,133	3.28	7 ^hrs 20 ^mins
53	P106-090 GP106 [P106-090]	Nvidia	GP106	264,812	88,706	2.99	8 ^hrs 2 ^mins
54	GeForce GTX 680 GK104 [GeForce GTX 680] 3250	Nvidia	GK104	262,995	88,707	2.96	8 ^hrs 6 ^mins
55	P106-100 GP106 [P106-100]	Nvidia	GP106	244,138	86,494	2.82	9 ^hrs 30 ^mins
56	GeForce GTX 950 GM206 [GeForce GTX 950] 1572	Nvidia	GM206	225,852	83,524	2.70	9 ^hrs 53 ^mins
57	Radeon HD 7800 Pitcairn [Radeon HD 7800]	AMD	Pitcairn	175,521	74,808	2.35	10 ^hrs 14 ^mins
58	GeForce GTX 750 Ti GM107 [GeForce GTX 750 Ti] 1389	Nvidia	GM107	165,945	73,064	2.27	11 ^hrs 34 ^mins
59	Quadro P1000 GP107GL [Quadro P1000]	Nvidia	GP107GL	146,874	72,694	2.02	12 ^hrs 53 ^mins
60	GTX 650 Ti Boost GK106 [GTX 650 Ti Boost]	Nvidia	GK106	128,022	69,407	1.84	13 ^hrs 1 ^mins
61	GeForce GTX 690 GK104 [GeForce GTX 690] 3130	Nvidia	GK104	112,522	42,255	2.66	9 ^hrs 1 ^mins
62	GeForce GT 1030 GP108 [GeForce GT 1030] 1127	Nvidia	GP108	98,273	48,498	2.03	12 ^hrs 51 ^mins
63	Radeon R7/R6 360 Series Bonaire [Radeon R7/R6 360 Series]	AMD	Bonaire	91,409	61,362	1.49	16 ^hrs 7 ^mins
64	Quadro K1200 GM107GL [Quadro K1200]	Nvidia	GM107GL	90,336	61,974	1.46	16 ^hrs 28 ^mins
65	Radeon APU A4-6000 R2 Mullins [Radeon APU A4-6000 R2]	AMD	Mullins	6,181	42,255	0.15	164 ^hrs 4 ^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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