PROJECT #16479 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: 187,583

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 6,890,729 495,140 13.92 2 hrs 43 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 6,434,103 487,127 13.21 2 hrs 49 mins
3 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 5,898,968 475,373 12.41 2 hrs 56 mins
4 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 5,720,094 464,992 12.30 2 hrs 57 mins
5 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,746,742 439,701 10.80 2 hrs 13 mins
6 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 4,644,631 438,329 10.60 2 hrs 16 mins
7 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,580,997 436,824 10.49 2 hrs 17 mins
8 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,316,022 391,752 8.46 3 hrs 50 mins
9 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,242,673 385,075 8.42 3 hrs 51 mins
10 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,882,056 381,187 7.56 3 hrs 10 mins
11 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,797,769 372,023 7.52 3 hrs 11 mins
12 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,697,036 366,340 7.36 3 hrs 16 mins
13 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,613,129 362,684 7.20 3 hrs 20 mins
14 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,527,601 358,669 7.05 3 hrs 24 mins
15 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 2,208,550 342,879 6.44 4 hrs 44 mins
16 Radeon RX 6900 XT
Navi 21 [Radeon RX 6900 XT]
AMD Navi 21 2,117,306 336,378 6.29 4 hrs 49 mins
17 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,113,580 336,883 6.27 4 hrs 50 mins
18 TITAN X
GP102 [TITAN X] 6144
Nvidia GP102 2,078,968 335,623 6.19 4 hrs 52 mins
19 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,070,246 333,563 6.21 4 hrs 52 mins
20 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 1,812,530 321,229 5.64 4 hrs 15 mins
21 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,808,954 320,447 5.65 4 hrs 15 mins
22 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,679,706 313,134 5.36 4 hrs 28 mins
23 Tesla P40
GP102GL [Tesla P40] 11760
Nvidia GP102GL 1,645,972 309,432 5.32 5 hrs 31 mins
24 GeForce RTX 3060 Mobile / Max-Q
GA106M [GeForce RTX 3060 Mobile / Max-Q]
Nvidia GA106M 1,633,060 311,210 5.25 5 hrs 34 mins
25 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,542,075 303,964 5.07 5 hrs 44 mins
26 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,356,829 291,255 4.66 5 hrs 9 mins
27 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,263,917 283,195 4.46 5 hrs 23 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 1,242,238 283,212 4.39 5 hrs 28 mins
29 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,211,179 278,894 4.34 6 hrs 32 mins
30 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,160,402 277,632 4.18 6 hrs 45 mins
31 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,039,497 235,398 4.42 5 hrs 26 mins
32 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,000,949 156,684 6.39 4 hrs 45 mins
33 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 977,808 257,460 3.80 6 hrs 19 mins
34 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 932,610 257,585 3.62 7 hrs 38 mins
35 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 743,858 240,463 3.09 8 hrs 46 mins
36 Tesla P4
GP104GL [Tesla P4] 5704
Nvidia GP104GL 699,171 233,902 2.99 8 hrs 2 mins
37 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 595,539 221,525 2.69 9 hrs 56 mins
38 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 552,998 217,864 2.54 9 hrs 27 mins
39 P106-100
GP106 [P106-100]
Nvidia GP106 512,213 211,002 2.43 10 hrs 53 mins
40 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 461,228 202,979 2.27 11 hrs 34 mins
41 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 293,077 172,619 1.70 14 hrs 8 mins
42 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 270,713 170,411 1.59 15 hrs 6 mins
43 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 252,296 166,265 1.52 16 hrs 49 mins
44 GeForce GTX 1050 Ti Mobile
GP107M [GeForce GTX 1050 Ti Mobile]
Nvidia GP107M 213,537 157,735 1.35 18 hrs 44 mins
45 GeForce GTX 660 Ti
GK104 [GeForce GTX 660 Ti] 2634
Nvidia GK104 207,504 151,602 1.37 18 hrs 32 mins
46 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 168,488 134,782 1.25 19 hrs 12 mins
47 GRID M40
GM107GL [GRID M40]
Nvidia GM107GL 93,517 113,122 0.83 29 hrs 2 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