PROJECT #18110 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: 38,533

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 3080 Ti GA102 [GeForce RTX 3080 Ti]	Nvidia	GA102	4,456,622	235,517	18.92	1 ^hrs 16 ^mins
2	GeForce RTX 3090 GA102 [GeForce RTX 3090]	Nvidia	GA102	3,934,244	224,165	17.55	1 ^hrs 22 ^mins
3	GeForce RTX 3080 Lite Hash Rate GA102 [GeForce RTX 3080 Lite Hash Rate]	Nvidia	GA102	3,924,038	219,931	17.84	1 ^hrs 21 ^mins
4	GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448	Nvidia	TU102	3,899,506	225,323	17.31	1 ^hrs 23 ^mins
5	GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448	Nvidia	TU102	3,527,948	218,378	16.16	1 ^hrs 29 ^mins
6	GeForce RTX 3080 GA102 [GeForce RTX 3080]	Nvidia	GA102	3,359,584	214,068	15.69	2 ^hrs 32 ^mins
7	GeForce RTX 3070 Ti GA104 [GeForce RTX 3070 Ti]	Nvidia	GA104	3,252,957	213,454	15.24	2 ^hrs 34 ^mins
8	GeForce RTX 2080 Rev. A TU104 [GeForce RTX 2080 Rev. A] 10068	Nvidia	TU104	2,852,604	204,523	13.95	2 ^hrs 43 ^mins
9	TITAN Xp GP102 [TITAN Xp] 12150	Nvidia	GP102	2,746,551	201,709	13.62	2 ^hrs 46 ^mins
10	GeForce RTX 2080 TU104 [GeForce RTX 2080]	Nvidia	TU104	2,662,490	199,933	13.32	2 ^hrs 48 ^mins
11	GeForce RTX 3070 GA104 [GeForce RTX 3070]	Nvidia	GA104	2,577,512	193,726	13.30	2 ^hrs 48 ^mins
12	GeForce RTX 3060 Ti Lite Hash Rate GA104 [GeForce RTX 3060 Ti Lite Hash Rate]	Nvidia	GA104	2,522,953	194,639	12.96	2 ^hrs 51 ^mins
13	GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380	Nvidia	GP102	2,353,564	191,678	12.28	2 ^hrs 57 ^mins
14	GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER]	Nvidia	TU104	2,300,692	190,533	12.08	2 ^hrs 59 ^mins
15	GeForce RTX 3060 Ti GA104 [GeForce RTX 3060 Ti]	Nvidia	GA104	2,200,057	186,423	11.80	2 ^hrs 2 ^mins
16	GeForce RTX 2070 Rev. A TU106 [GeForce RTX 2070 Rev. A] M 7465	Nvidia	TU106	1,990,911	181,274	10.98	2 ^hrs 11 ^mins
17	Radeon RX 6900 XT Navi 21 [Radeon RX 6900 XT]	AMD	Navi 21	1,955,083	180,066	10.86	2 ^hrs 13 ^mins
18	GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218	Nvidia	TU104	1,915,927	179,008	10.70	2 ^hrs 15 ^mins
19	GeForce RTX 3070 Mobile / Max-Q 8GB/16GB GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]	Nvidia	GA104M	1,729,513	173,017	10.00	2 ^hrs 24 ^mins
20	GeForce RTX 3060 Lite Hash Rate GA106 [GeForce RTX 3060 Lite Hash Rate]	Nvidia	GA106	1,719,485	173,009	9.94	2 ^hrs 25 ^mins
21	Quadro RTX 4000 TU104GL [Quadro RTX 4000]	Nvidia	TU104GL	1,709,977	170,206	10.05	2 ^hrs 23 ^mins
22	GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER]	Nvidia	TU106	1,644,758	168,843	9.74	2 ^hrs 28 ^mins
23	GeForce RTX 3060 GA106 [GeForce RTX 3060]	Nvidia	GA106	1,626,538	161,665	10.06	2 ^hrs 23 ^mins
24	GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873	Nvidia	GP104	1,513,785	169,643	8.92	3 ^hrs 41 ^mins
25	GeForce RTX 2060 TU104 [GeForce RTX 2060]	Nvidia	TU104	1,470,821	163,941	8.97	3 ^hrs 41 ^mins
26	GeForce RTX 2070 TU106 [GeForce RTX 2070] M 6497	Nvidia	TU106	1,455,566	146,030	9.97	2 ^hrs 24 ^mins
27	GeForce GTX 1070 Ti GP104 [GeForce GTX 1070 Ti] 8186	Nvidia	GP104	1,454,450	163,341	8.90	3 ^hrs 42 ^mins
28	GeForce RTX 2060 TU106 [Geforce RTX 2060]	Nvidia	TU106	1,439,716	149,835	9.61	2 ^hrs 30 ^mins
29	GeForce RTX 2060 Mobile TU106M [GeForce RTX 2060 Mobile]	Nvidia	TU106M	1,280,181	157,233	8.14	3 ^hrs 57 ^mins
30	GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463	Nvidia	GP104	1,228,003	154,238	7.96	3 ^hrs 1 ^mins
31	Radeon VII Vega 20 [Radeon VII] 13,284	AMD	Vega 20	1,185,846	152,683	7.77	3 ^hrs 5 ^mins
32	GeForce GTX 1660 Ti TU116 [GeForce GTX 1660 Ti]	Nvidia	TU116	1,136,031	150,415	7.55	3 ^hrs 11 ^mins
33	Radeon RX 5600 OEM/5600 XT/5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]	AMD	Navi 10	1,135,639	146,459	7.75	3 ^hrs 6 ^mins
34	GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER]	Nvidia	TU116	1,059,817	145,974	7.26	3 ^hrs 18 ^mins
35	GeForce RTX 2060 Mobile / Max-Q TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550	Nvidia	TU106M	993,245	140,532	7.07	3 ^hrs 24 ^mins
36	GeForce GTX 1660 TU116 [GeForce GTX 1660]	Nvidia	TU116	907,206	139,369	6.51	4 ^hrs 41 ^mins
37	GeForce RTX 3050 Ti Mobile GA107M [GeForce RTX 3050 Ti Mobile]	Nvidia	GA107M	904,596	139,695	6.48	4 ^hrs 42 ^mins
38	Radeon RX Vega 56/64 Vega 10 XL/XT [Radeon RX Vega 56/64]	AMD	Vega 10 XL/XT	856,264	136,371	6.28	4 ^hrs 49 ^mins
39	GeForce GTX 980 GM204 [GeForce GTX 980] 4612	Nvidia	GM204	815,728	134,693	6.06	4 ^hrs 58 ^mins
40	GeForce GTX 1070 Mobile GP104BM [GeForce GTX 1070 Mobile] 6463	Nvidia	GP104BM	790,489	133,154	5.94	4 ^hrs 3 ^mins
41	GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372	Nvidia	GP106	688,845	126,931	5.43	4 ^hrs 25 ^mins
42	GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935	Nvidia	GP106	658,558	125,040	5.27	5 ^hrs 33 ^mins
43	GeForce GTX 970 GM204 [GeForce GTX 970] 3494	Nvidia	GM204	542,428	118,251	4.59	5 ^hrs 14 ^mins
44	GeForce GTX 1650 Mobile / Max-Q TU117M [GeForce GTX 1650 Mobile / Max-Q]	Nvidia	TU117M	486,680	113,201	4.30	6 ^hrs 35 ^mins
45	Quadro T2000 Mobile / Max-Q TU117GLM [Quadro T2000 Mobile / Max-Q]	Nvidia	TU117GLM	441,697	105,528	4.19	6 ^hrs 44 ^mins
46	Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590]	AMD	Ellesmere XT	423,800	108,345	3.91	6 ^hrs 8 ^mins
47	GeForce GTX 960 GM206 [GeForce GTX 960] 2308	Nvidia	GM206	350,824	101,943	3.44	7 ^hrs 58 ^mins
48	P104-100 GP104 [P104-100]	Nvidia	GP104	330,338	99,791	3.31	7 ^hrs 15 ^mins
49	P106-090 GP106 [P106-090]	Nvidia	GP106	281,205	94,541	2.97	8 ^hrs 4 ^mins
50	P106-100 GP106 [P106-100]	Nvidia	GP106	261,757	92,107	2.84	8 ^hrs 27 ^mins
51	GeForce GTX 680 GK104 [GeForce GTX 680] 3250	Nvidia	GK104	252,388	90,990	2.77	9 ^hrs 39 ^mins
52	GeForce GTX 950 GM206 [GeForce GTX 950] 1572	Nvidia	GM206	242,754	89,469	2.71	9 ^hrs 51 ^mins
53	GeForce GTX 690 GK104 [GeForce GTX 690] 3130	Nvidia	GK104	233,902	88,837	2.63	9 ^hrs 7 ^mins
54	GeForce GTX 670/GTX 760Ti OEM GK104 [GeForce GTX 670/GTX 760Ti OEM] 2634	Nvidia	GK104	215,070	86,767	2.48	10 ^hrs 41 ^mins
55	GeForce GTX 660 Ti GK104 [GeForce GTX 660 Ti] 2634	Nvidia	GK104	212,720	83,509	2.55	9 ^hrs 25 ^mins
56	GeForce GTX 1050 Ti Mobile GP107M [GeForce GTX 1050 Ti Mobile]	Nvidia	GP107M	190,905	83,069	2.30	10 ^hrs 27 ^mins
57	GeForce GTX 750 Ti GM107 [GeForce GTX 750 Ti] 1389	Nvidia	GM107	161,008	78,401	2.05	12 ^hrs 41 ^mins
58	Quadro P1000 GP107GL [Quadro P1000]	Nvidia	GP107GL	145,858	75,795	1.92	12 ^hrs 28 ^mins
59	Quadro K5000 GK104 [Quadro K5000]	Nvidia	GK104	142,677	74,896	1.91	13 ^hrs 36 ^mins
60	Quadro K2200 GM107GL [Quadro K2200]	Nvidia	GM107GL	136,327	74,263	1.84	13 ^hrs 4 ^mins
61	Radeon RX Vega M XL [Radeon RX Vega M XL]	AMD	Vega	135,524	65,523	2.07	12 ^hrs 36 ^mins
62	Quadro P620 GP107GL [Quadro P620]	Nvidia	GP107GL	132,443	73,516	1.80	13 ^hrs 19 ^mins
63	GTX 650 Ti Boost GK106 [GTX 650 Ti Boost]	Nvidia	GK106	120,162	71,200	1.69	14 ^hrs 13 ^mins
64	GeForce GT 1030 GP108 [GeForce GT 1030] 1127	Nvidia	GP108	104,059	65,350	1.59	15 ^hrs 4 ^mins
65	Radeon RX Vega gfx902 raven [Radeon RX Vega gfx902]	AMD	raven	100,485	67,320	1.49	16 ^hrs 5 ^mins
66	Quadro K1200 GM107GL [Quadro K1200]	Nvidia	GM107GL	95,020	65,809	1.44	17 ^hrs 37 ^mins
67	GeForce GTX 950M GM107 [GeForce GTX 950M] 1439	Nvidia	GM107	86,824	59,922	1.45	17 ^hrs 34 ^mins
68	GeForce GTX 960M GM107 [GeForce GTX 960M] 1439	Nvidia	GM107	65,434	51,851	1.26	19 ^hrs 1 ^mins
69	GeForce GT 730 GK208B [GeForce GT 730] 692.7	Nvidia	GK208B	34,602	45,062	0.77	31 ^hrs 15 ^mins
70	Quadro NVS 510 GK107 [Quadro NVS 510]	Nvidia	GK107	16,251	45,000	0.36	66 ^hrs 27 ^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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