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 Monday, 27 September 2021 14:58:28

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 7,149,470 503,269 14.21 2 hrs 41 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 6,490,389 487,553 13.31 2 hrs 48 mins
3 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 5,581,251 457,655 12.20 2 hrs 58 mins
4 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 5,157,222 430,828 11.97 2 hrs 0 mins
5 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,542,164 435,142 10.44 2 hrs 18 mins
6 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,358,457 427,548 10.19 2 hrs 21 mins
7 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 4,077,307 418,547 9.74 2 hrs 28 mins
8 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,331,569 392,339 8.49 3 hrs 50 mins
9 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,268,033 384,137 8.51 3 hrs 49 mins
10 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,768,013 368,010 7.52 3 hrs 11 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 Radeon RX 6900 XT
Navi 21 [Radeon RX 6900 XT]
AMD Navi 21 2,605,422 359,682 7.24 3 hrs 19 mins
13 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,594,651 360,928 7.19 3 hrs 20 mins
14 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,438,606 353,491 6.90 3 hrs 29 mins
15 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,372,009 348,939 6.80 4 hrs 32 mins
16 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,201,005 339,249 6.49 4 hrs 42 mins
17 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 2,190,311 340,911 6.42 4 hrs 44 mins
18 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,132,828 336,297 6.34 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 1,917,204 326,912 5.86 4 hrs 6 mins
21 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,767,928 315,805 5.60 4 hrs 17 mins
22 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,750,352 316,604 5.53 4 hrs 20 mins
23 Tesla P40
GP102GL [Tesla P40] 11760
Nvidia GP102GL 1,671,307 311,512 5.37 4 hrs 28 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 1,393,881 294,048 4.74 5 hrs 4 mins
27 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,288,996 286,254 4.50 5 hrs 20 mins
28 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 1,207,989 279,260 4.33 6 hrs 33 mins
29 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,174,591 277,195 4.24 6 hrs 40 mins
30 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,139,388 273,263 4.17 6 hrs 45 mins
31 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 979,172 256,637 3.82 6 hrs 17 mins
32 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 930,274 255,999 3.63 7 hrs 36 mins
33 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 832,129 247,405 3.36 7 hrs 8 mins
34 Tesla P4
GP104GL [Tesla P4] 5704
Nvidia GP104GL 704,632 233,520 3.02 8 hrs 57 mins
35 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 611,952 137,054 4.47 5 hrs 23 mins
36 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 500,376 185,177 2.70 9 hrs 53 mins
37 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 390,530 192,297 2.03 12 hrs 49 mins
38 GeForce GTX 1050 Ti Mobile
GP107M [GeForce GTX 1050 Ti Mobile]
Nvidia GP107M 282,103 167,526 1.68 14 hrs 15 mins
39 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 252,227 166,486 1.52 16 hrs 50 mins
40 GeForce GTX 660 Ti
GK104 [GeForce GTX 660 Ti] 2634
Nvidia GK104 208,697 152,889 1.37 18 hrs 35 mins
41 Quadro P620
GP107GL [Quadro P620]
Nvidia GP107GL 132,852 134,174 0.99 24 hrs 14 mins
42 GRID M40
GM107GL [GRID M40]
Nvidia GM107GL 78,713 112,928 0.70 34 hrs 26 mins
43 Radeon R7 250/HD 7700
R575A [Radeon R7 250/HD 7700]
AMD R575A 33,204 85,662 0.39 62 hrs 55 mins
44 Radeon APU A4-6000 R2
Mullins [Radeon APU A4-6000 R2]
AMD Mullins 5,786 69,869 0.08 290 hrs 49 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Monday, 27 September 2021 14:58:28

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