PROJECT #18115 RESEARCH FOR CANCER
FOLDING PERFORMANCE PROFILE

PROJECT SUMMARY

18110/5: 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.

18111/6: 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: 38,533

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	4,445,842	235,209	18.90	1 ^hrs 16 ^mins
2	GeForce RTX 3080 Ti GA102 [GeForce RTX 3080 Ti]	Nvidia	GA102	4,416,649	234,282	18.85	1 ^hrs 16 ^mins
3	GeForce RTX 3080 Lite Hash Rate GA102 [GeForce RTX 3080 Lite Hash Rate]	Nvidia	GA102	4,167,134	223,169	18.67	1 ^hrs 17 ^mins
4	GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448	Nvidia	TU102	3,647,695	221,200	16.49	1 ^hrs 27 ^mins
5	GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448	Nvidia	TU102	3,607,599	220,604	16.35	1 ^hrs 28 ^mins
6	GeForce RTX 3080 GA102 [GeForce RTX 3080]	Nvidia	GA102	3,323,899	211,526	15.71	2 ^hrs 32 ^mins
7	GeForce RTX 3070 GA104 [GeForce RTX 3070]	Nvidia	GA104	3,085,106	209,860	14.70	2 ^hrs 38 ^mins
8	GeForce RTX 3070 Ti GA104 [GeForce RTX 3070 Ti]	Nvidia	GA104	3,065,310	209,567	14.63	2 ^hrs 38 ^mins
9	GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068	Nvidia	TU104	2,986,164	207,541	14.39	2 ^hrs 40 ^mins
10	GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti]	Nvidia	GA104	2,715,063	195,815	13.87	2 ^hrs 44 ^mins
11	GeForce RTX 3060 Ti Lite Hash Rate GA104 [GeForce RTX 3060 Ti Lite Hash Rate]	Nvidia	GA104	2,584,162	196,956	13.12	2 ^hrs 50 ^mins
12	GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380	Nvidia	GP102	2,412,501	192,633	12.52	2 ^hrs 55 ^mins
13	GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER]	Nvidia	TU104	2,249,472	188,307	11.95	2 ^hrs 1 ^mins
14	GeForce RTX 3070 Lite Hash Rate GA104 [GeForce RTX 3070 Lite Hash Rate]	Nvidia	GA104	2,221,235	185,255	11.99	2 ^hrs 0 ^mins
15	GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218	Nvidia	TU104	2,132,808	185,077	11.52	2 ^hrs 5 ^mins
16	GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465	Nvidia	TU106	2,124,810	185,561	11.45	2 ^hrs 6 ^mins
17	GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER]	Nvidia	TU106	1,936,656	178,839	10.83	2 ^hrs 13 ^mins
18	GeForce RTX 3060 GA106 [GeForce RTX 3060]	Nvidia	GA106	1,846,844	176,768	10.45	2 ^hrs 18 ^mins
19	GeForce RTX 3070 Mobile / Max-Q 8GB/16GB GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]	Nvidia	GA104M	1,825,548	175,899	10.38	2 ^hrs 19 ^mins
20	GeForce RTX 3060 Mobile / Max-Q GA106M [GeForce RTX 3060 Mobile / Max-Q]	Nvidia	GA106M	1,792,624	175,520	10.21	2 ^hrs 21 ^mins
21	GeForce RTX 3060 Lite Hash Rate GA106 [GeForce RTX 3060 Lite Hash Rate]	Nvidia	GA106	1,684,962	171,419	9.83	2 ^hrs 26 ^mins
22	GeForce RTX 2060 TU104 [GeForce RTX 2060]	Nvidia	TU104	1,638,616	169,866	9.65	2 ^hrs 29 ^mins
23	GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186	Nvidia	GP104	1,480,603	164,511	9.00	3 ^hrs 40 ^mins
24	GeForce RTX 2060 Mobile TU106M [GeForce RTX 2060 Mobile]	Nvidia	TU106M	1,262,619	156,366	8.07	3 ^hrs 58 ^mins
25	GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463	Nvidia	GP104	1,234,071	154,755	7.97	3 ^hrs 1 ^mins
26	GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER]	Nvidia	TU116	1,070,206	146,942	7.28	3 ^hrs 18 ^mins
27	RTX A2000 Mobile GA107GLM [RTX A2000 Mobile]		GA107GLM	910,477	140,300	6.49	4 ^hrs 42 ^mins
28	GeForce GTX 1070 Mobile GP104BM [GeForce GTX 1070 Mobile] 6463	Nvidia	GP104BM	753,833	128,690	5.86	4 ^hrs 6 ^mins
29	GeForce GTX 1660 TU116 [GeForce GTX 1660]	Nvidia	TU116	738,592	130,577	5.66	4 ^hrs 15 ^mins
30	GeForce GTX 970 GM204 [GeForce GTX 970] 3494	Nvidia	GM204	638,524	124,211	5.14	5 ^hrs 40 ^mins
31	GeForce GTX 1060 Mobile GP106M [GeForce GTX 1060 Mobile]	Nvidia	GP106M	619,811	123,304	5.03	5 ^hrs 46 ^mins
32	GeForce GTX 1650 Ti Mobile TU117M [GeForce GTX 1650 Ti Mobile]	Nvidia	TU117M	573,352	114,352	5.01	5 ^hrs 47 ^mins
33	GeForce GTX 1650 TU117 [GeForce GTX 1650]	Nvidia	TU117	528,403	116,810	4.52	5 ^hrs 18 ^mins
34	GeForce GTX 960 GM206 [GeForce GTX 960] 2308	Nvidia	GM206	366,324	103,629	3.53	7 ^hrs 47 ^mins
35	P106-100 GP106 [P106-100]	Nvidia	GP106	262,359	92,309	2.84	8 ^hrs 27 ^mins
36	GeForce GTX 950 GM206 [GeForce GTX 950] 1572	Nvidia	GM206	244,022	89,032	2.74	9 ^hrs 45 ^mins
37	Quadro P1000 GP107GL [Quadro P1000]	Nvidia	GP107GL	149,195	76,200	1.96	12 ^hrs 15 ^mins
38	GeForce GT 730 GK208B [GeForce GT 730] 692.7	Nvidia	GK208B	37,477	45,000	0.83	29 ^hrs 49 ^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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