PROJECT #16482 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: 187,566

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Monday, 27 September 2021 17:59:06

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 6,782,414 492,217 13.78 2 hrs 45 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 6,525,124 484,443 13.47 2 hrs 47 mins
3 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 6,063,962 478,482 12.67 2 hrs 54 mins
4 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 5,588,671 465,446 12.01 2 hrs 60 mins
5 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,859,899 444,000 10.95 2 hrs 12 mins
6 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,544,963 435,386 10.44 2 hrs 18 mins
7 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 4,269,853 423,794 10.08 2 hrs 23 mins
8 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,315,393 390,964 8.48 3 hrs 50 mins
9 Radeon RX 6900 XT
Navi 21 [Radeon RX 6900 XT]
AMD Navi 21 3,160,630 382,059 8.27 3 hrs 54 mins
10 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,071,678 376,300 8.16 3 hrs 56 mins
11 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 3,002,814 390,596 7.69 3 hrs 7 mins
12 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,661,904 364,287 7.31 3 hrs 17 mins
13 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,644,076 360,875 7.33 3 hrs 17 mins
14 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,639,138 360,596 7.32 3 hrs 17 mins
15 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,456,139 354,405 6.93 3 hrs 28 mins
16 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,200,778 339,133 6.49 4 hrs 42 mins
17 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 2,175,869 340,162 6.40 4 hrs 45 mins
18 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,160,852 339,117 6.37 4 hrs 46 mins
19 TITAN X
GP102 [TITAN X] 6144
Nvidia GP102 2,059,436 334,103 6.16 4 hrs 54 mins
20 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,856,838 312,359 5.94 4 hrs 2 mins
21 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 1,760,691 316,936 5.56 4 hrs 19 mins
22 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,743,866 315,180 5.53 4 hrs 20 mins
23 Tesla P40
GP102GL [Tesla P40] 11760
Nvidia GP102GL 1,662,286 310,437 5.35 4 hrs 29 mins
24 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,619,092 308,571 5.25 5 hrs 34 mins
25 GeForce RTX 3060 Mobile / Max-Q
GA106M [GeForce RTX 3060 Mobile / Max-Q]
Nvidia GA106M 1,608,920 307,670 5.23 5 hrs 35 mins
26 Radeon RX 6700/6700 XT / 6800M
Navi 22 [Radeon RX 6700/6700 XT / 6800M]
AMD Navi 22 1,597,656 296,407 5.39 4 hrs 27 mins
27 GeForce RTX 3070 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 1,590,405 306,264 5.19 5 hrs 37 mins
28 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,396,261 293,756 4.75 5 hrs 3 mins
29 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,314,999 288,493 4.56 5 hrs 16 mins
30 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,225,064 279,048 4.39 5 hrs 28 mins
31 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,159,814 275,532 4.21 6 hrs 42 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 1,129,619 272,751 4.14 6 hrs 48 mins
33 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,016,994 254,677 3.99 6 hrs 1 mins
34 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 929,764 256,420 3.63 7 hrs 37 mins
35 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 771,600 240,829 3.20 7 hrs 29 mins
36 Tesla P4
GP104GL [Tesla P4] 5704
Nvidia GP104GL 690,180 231,934 2.98 8 hrs 4 mins
37 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 481,133 215,507 2.23 11 hrs 45 mins
38 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 451,082 200,645 2.25 11 hrs 41 mins
39 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 405,097 194,339 2.08 12 hrs 31 mins
40 P106-090
GP106 [P106-090]
Nvidia GP106 286,596 172,842 1.66 14 hrs 28 mins
41 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 274,142 172,126 1.59 15 hrs 4 mins
42 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 248,096 164,047 1.51 16 hrs 52 mins
43 GeForce GTX 660 Ti
GK104 [GeForce GTX 660 Ti] 2634
Nvidia GK104 213,380 156,185 1.37 18 hrs 34 mins
44 GeForce GTX 750 Ti
GM107 [GeForce GTX 750 Ti] 1389
Nvidia GM107 125,678 115,975 1.08 22 hrs 9 mins
45 GeForce GT 1030
GP108 [GeForce GT 1030] 1127
Nvidia GP108 102,376 90,594 1.13 21 hrs 14 mins
46 Quadro K1200
GM107GL [Quadro K1200]
Nvidia GM107GL 93,287 119,342 0.78 31 hrs 42 mins
47 GeForce GTX 750
GM107 [GeForce GTX 750] 1111
Nvidia GM107 15,347 69,858 0.22 109 hrs 15 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Monday, 27 September 2021 17:59:06

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