PROJECT #16481 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 7,083,278 500,274 14.16 2 hrs 42 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 6,528,811 488,569 13.36 2 hrs 48 mins
3 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 6,066,215 477,533 12.70 2 hrs 53 mins
4 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 5,701,713 468,123 12.18 2 hrs 58 mins
5 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,702,495 439,549 10.70 2 hrs 15 mins
6 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 4,264,303 424,019 10.06 2 hrs 23 mins
7 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,226,227 422,312 10.01 2 hrs 24 mins
8 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,308,809 387,909 8.53 3 hrs 49 mins
9 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,307,549 389,649 8.49 3 hrs 50 mins
10 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,945,047 388,627 7.58 3 hrs 10 mins
11 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,821,468 370,859 7.61 3 hrs 9 mins
12 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,619,993 360,855 7.26 3 hrs 18 mins
13 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,547,923 356,265 7.15 3 hrs 21 mins
14 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,466,425 354,236 6.96 3 hrs 27 mins
15 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,384,991 350,162 6.81 4 hrs 31 mins
16 Radeon RX 6900 XT
Navi 21 [Radeon RX 6900 XT]
AMD Navi 21 2,265,317 340,164 6.66 4 hrs 36 mins
17 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 2,226,290 342,141 6.51 4 hrs 41 mins
18 GeForce RTX 3070 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 2,142,774 339,381 6.31 4 hrs 48 mins
19 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,119,495 334,604 6.33 4 hrs 47 mins
20 TITAN X
GP102 [TITAN X] 6144
Nvidia GP102 2,062,330 332,944 6.19 4 hrs 52 mins
21 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,776,761 317,256 5.60 4 hrs 17 mins
22 Tesla P40
GP102GL [Tesla P40] 11760
Nvidia GP102GL 1,715,570 313,144 5.48 4 hrs 23 mins
23 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,704,363 313,211 5.44 4 hrs 25 mins
24 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,682,368 328,524 5.12 5 hrs 41 mins
25 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,355,486 290,218 4.67 5 hrs 8 mins
26 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,298,575 286,523 4.53 5 hrs 18 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 1,261,802 283,342 4.45 5 hrs 23 mins
28 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,204,830 264,301 4.56 5 hrs 16 mins
29 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,162,052 276,064 4.21 6 hrs 42 mins
30 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,138,012 270,331 4.21 6 hrs 42 mins
31 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,056,152 266,070 3.97 6 hrs 3 mins
32 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 859,362 249,308 3.45 7 hrs 58 mins
33 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 772,017 240,591 3.21 7 hrs 29 mins
34 Tesla P4
GP104GL [Tesla P4] 5704
Nvidia GP104GL 693,549 231,730 2.99 8 hrs 1 mins
35 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 639,286 226,288 2.83 8 hrs 30 mins
36 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 598,644 221,474 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 514,428 207,819 2.48 10 hrs 42 mins
38 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 297,558 174,766 1.70 14 hrs 6 mins
39 GeForce GTX 1050 Ti Mobile
GP107M [GeForce GTX 1050 Ti Mobile]
Nvidia GP107M 283,906 172,840 1.64 15 hrs 37 mins
40 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 250,315 164,926 1.52 16 hrs 49 mins
41 GeForce GTX 660 Ti
GK104 [GeForce GTX 660 Ti] 2634
Nvidia GK104 208,073 152,412 1.37 18 hrs 35 mins
42 Quadro K2200
GM107GL [Quadro K2200]
Nvidia GM107GL 136,810 135,142 1.01 24 hrs 42 mins
43 GeForce GT 1030
GP108 [GeForce GT 1030] 1127
Nvidia GP108 117,418 95,644 1.23 20 hrs 33 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