PROJECT #16480 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: 187,564

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 7,250,205 503,649 14.40 2 hrs 40 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 6,350,363 480,703 13.21 2 hrs 49 mins
3 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 5,900,680 471,514 12.51 2 hrs 55 mins
4 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 5,287,465 448,293 11.79 2 hrs 2 mins
5 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,630,867 435,095 10.64 2 hrs 15 mins
6 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,585,093 432,048 10.61 2 hrs 16 mins
7 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 4,106,334 416,676 9.85 2 hrs 26 mins
8 Radeon RX 6900 XT
Navi 21 [Radeon RX 6900 XT]
AMD Navi 21 4,096,508 418,173 9.80 2 hrs 27 mins
9 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,401,470 392,296 8.67 3 hrs 46 mins
10 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,018,955 374,500 8.06 3 hrs 59 mins
11 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,816,442 367,862 7.66 3 hrs 8 mins
12 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,613,885 359,794 7.26 3 hrs 18 mins
13 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,589,854 359,128 7.21 3 hrs 20 mins
14 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,374,220 348,512 6.81 4 hrs 31 mins
15 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,286,019 333,835 6.85 4 hrs 30 mins
16 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,257,891 342,790 6.59 4 hrs 39 mins
17 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 2,220,120 340,588 6.52 4 hrs 41 mins
18 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,158,046 335,852 6.43 4 hrs 44 mins
19 GeForce RTX 3070 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 2,133,435 336,303 6.34 4 hrs 47 mins
20 TITAN X
GP102 [TITAN X] 6144
Nvidia GP102 2,064,019 332,635 6.21 4 hrs 52 mins
21 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,824,194 319,020 5.72 4 hrs 12 mins
22 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 1,792,738 316,677 5.66 4 hrs 14 mins
23 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,785,944 317,803 5.62 4 hrs 16 mins
24 Tesla P40
GP102GL [Tesla P40] 11760
Nvidia GP102GL 1,682,094 309,719 5.43 4 hrs 25 mins
25 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,320,184 287,086 4.60 5 hrs 13 mins
26 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,264,369 282,301 4.48 5 hrs 22 mins
27 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 1,145,826 272,782 4.20 6 hrs 43 mins
28 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,133,306 263,876 4.29 6 hrs 35 mins
29 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,122,872 253,033 4.44 5 hrs 24 mins
30 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,063,496 264,466 4.02 6 hrs 58 mins
31 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 926,942 254,662 3.64 7 hrs 36 mins
32 Tesla P4
GP104GL [Tesla P4] 5704
Nvidia GP104GL 690,857 231,025 2.99 8 hrs 2 mins
33 Radeon RX 6700/6700 XT / 6800M
Navi 22 [Radeon RX 6700/6700 XT / 6800M]
AMD Navi 22 654,115 224,181 2.92 8 hrs 14 mins
34 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 642,552 225,569 2.85 8 hrs 26 mins
35 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 636,806 213,006 2.99 8 hrs 2 mins
36 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 615,447 222,708 2.76 9 hrs 41 mins
37 P106-100
GP106 [P106-100]
Nvidia GP106 496,853 206,877 2.40 10 hrs 60 mins
38 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 448,257 200,213 2.24 11 hrs 43 mins
39 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 412,799 189,163 2.18 11 hrs 60 mins
40 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 318,584 178,975 1.78 13 hrs 29 mins
41 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 295,228 173,115 1.71 14 hrs 4 mins
42 P106-090
GP106 [P106-090]
Nvidia GP106 283,137 171,619 1.65 15 hrs 33 mins
43 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 248,258 162,057 1.53 16 hrs 40 mins
44 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 245,758 162,520 1.51 16 hrs 52 mins
45 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 222,033 138,214 1.61 15 hrs 56 mins
46 GeForce GTX 660 Ti
GK104 [GeForce GTX 660 Ti] 2634
Nvidia GK104 203,302 148,669 1.37 18 hrs 33 mins
47 GeForce GTX 750 Ti
GM107 [GeForce GTX 750 Ti] 1389
Nvidia GM107 141,100 136,226 1.04 23 hrs 10 mins
48 Radeon R7/R6 360 Series
Bonaire [Radeon R7/R6 360 Series]
AMD Bonaire 65,370 98,372 0.66 36 hrs 7 mins
49 Ryzen vega 8 mobile
Raven [Ryzen vega 8 mobile]
AMD Raven 51,015 96,933 0.53 46 hrs 36 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