PROJECT #16477 RESEARCH FOR CANCER
FOLDING PERFORMANCE PROFILE

PROJECT SUMMARY

In cancer treatment it is common to target multiple different putative proteins, because multiple proteins can malfunction in tumors to drive cancer. 

One such protein, particularly known to be important in endocrine gland tumors (the places where hormones are secreted), is Menin-1 (Menin). Menin is a protein found in the nucleus protein and plays a key role in regulating cell-signaling and gene expression (which genes turn on and off). While the explicit details of Menin's behavior are not known, targeting it's inhibition with small-molecules (ligands) has demonstrated promising potential in blocking tumor growth. However, like with many disease, mutations within Menin can *also* counteract this ligand-binding behavior. Therefore, it is not just important to study how Menin works, or how to target it with small molecules, but also how mutations impact Menin-Ligand interactions.  

This set of projects seeks to answer the latter two questions - how do small molecules inhibit Menin and how do mutations within Menin alter small-molecule affinity. In projects 16472 & 16473, we simulate Menin by itself and Menin bound to a known small molecule inhibitor that is shown to treat tumors in patients! Thanks to the powerhouse efforts at cataloguing cancer mutations at Memorial Sloan-Kettering, we also know of 3 mutations that impact the ability of Menin to bind this inhibitor. Projects 16474–16483 simulate either a) each of these Menin mutants or b) Menin mutants bound to this inhibitor.

Bonus: Some of these structures are being simulated with the help of the AlphaFold database!

PROJECT INFO

Manager(s): Sukrit Singh

Institution: Memorial Sloan-Kettering Cancer-Center

Project URL: http://sukritsingh.github.io/

PROJECT WORK UNIT SUMMARY

Atoms: 187,563

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Saturday, 15 January 2022 23:40:54

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 7,038,702 500,831 14.05 2 hrs 42 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 6,535,680 487,766 13.40 2 hrs 47 mins
3 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 5,633,530 458,900 12.28 2 hrs 57 mins
4 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 5,279,238 437,518 12.07 2 hrs 59 mins
5 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,885,651 445,063 10.98 2 hrs 11 mins
6 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,420,287 426,034 10.38 2 hrs 19 mins
7 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 4,319,129 426,358 10.13 2 hrs 22 mins
8 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,366,744 393,652 8.55 3 hrs 48 mins
9 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,330,011 387,624 8.59 3 hrs 48 mins
10 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,768,102 368,138 7.52 3 hrs 12 mins
11 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,686,347 365,172 7.36 3 hrs 16 mins
12 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,644,272 362,304 7.30 3 hrs 17 mins
13 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,594,651 360,928 7.19 3 hrs 20 mins
14 Radeon RX 6900 XT
Navi 21 [Radeon RX 6900 XT]
AMD Navi 21 2,520,343 355,878 7.08 3 hrs 23 mins
15 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,465,968 354,727 6.95 3 hrs 27 mins
16 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,239,383 341,373 6.56 4 hrs 40 mins
17 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 2,190,311 340,911 6.42 4 hrs 44 mins
18 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,141,155 336,970 6.35 4 hrs 47 mins
19 TITAN X
GP102 [TITAN X] 6144
Nvidia GP102 2,063,498 333,546 6.19 4 hrs 53 mins
20 GeForce RTX 3070 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 1,834,292 321,987 5.70 4 hrs 13 mins
21 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,763,554 317,415 5.56 4 hrs 19 mins
22 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,755,215 315,556 5.56 4 hrs 19 mins
23 Tesla P40
GP102GL [Tesla P40] 11760
Nvidia GP102GL 1,679,946 311,867 5.39 4 hrs 27 mins
24 GeForce RTX 3060 Mobile / Max-Q
GA106M [GeForce RTX 3060 Mobile / Max-Q]
Nvidia GA106M 1,610,918 307,865 5.23 5 hrs 35 mins
25 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,420,368 294,916 4.82 5 hrs 59 mins
26 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,392,503 293,870 4.74 5 hrs 4 mins
27 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,379,153 292,578 4.71 5 hrs 5 mins
28 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,297,125 286,736 4.52 5 hrs 18 mins
29 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 1,197,086 278,441 4.30 6 hrs 35 mins
30 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,174,591 277,195 4.24 6 hrs 40 mins
31 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,162,147 275,258 4.22 6 hrs 41 mins
32 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,000,286 258,642 3.87 6 hrs 12 mins
33 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 930,274 255,999 3.63 7 hrs 36 mins
34 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 723,952 235,411 3.08 8 hrs 48 mins
35 Tesla P4
GP104GL [Tesla P4] 5704
Nvidia GP104GL 704,632 233,520 3.02 8 hrs 57 mins
36 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 611,952 137,054 4.47 5 hrs 23 mins
37 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 601,648 224,225 2.68 9 hrs 57 mins
38 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 571,300 211,288 2.70 9 hrs 53 mins
39 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 565,649 217,046 2.61 9 hrs 13 mins
40 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 482,214 204,829 2.35 10 hrs 12 mins
41 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 454,029 201,258 2.26 11 hrs 38 mins
42 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 437,358 198,970 2.20 11 hrs 55 mins
43 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 321,936 179,833 1.79 13 hrs 24 mins
44 P106-090
GP106 [P106-090]
Nvidia GP106 286,895 173,482 1.65 15 hrs 31 mins
45 GeForce GTX 1050 Ti Mobile
GP107M [GeForce GTX 1050 Ti Mobile]
Nvidia GP107M 282,103 167,526 1.68 14 hrs 15 mins
46 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 252,227 166,486 1.52 16 hrs 50 mins
47 GeForce GTX 660 Ti
GK104 [GeForce GTX 660 Ti] 2634
Nvidia GK104 208,238 152,391 1.37 18 hrs 34 mins
48 Quadro P620
GP107GL [Quadro P620]
Nvidia GP107GL 132,864 134,220 0.99 24 hrs 15 mins
49 GRID M40
GM107GL [GRID M40]
Nvidia GM107GL 78,713 112,928 0.70 34 hrs 26 mins
50 Radeon R7 250/HD 7700
R575A [Radeon R7 250/HD 7700]
AMD R575A 33,204 85,662 0.39 62 hrs 55 mins
51 Radeon RX Vega gfx902
raven [Radeon RX Vega gfx902]
AMD raven 9,333 69,869 0.13 180 hrs 40 mins
52 Radeon APU A4-6000 R2
Mullins [Radeon APU A4-6000 R2]
AMD Mullins 5,713 69,869 0.08 294 hrs 31 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Saturday, 15 January 2022 23:40:54

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