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 Sunday, 16 January 2022 11:42:04

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 6,960,514 497,027 14.00 2 hrs 43 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 6,590,483 490,580 13.43 2 hrs 47 mins
3 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 6,100,008 478,006 12.76 2 hrs 53 mins
4 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 5,672,941 466,471 12.16 2 hrs 58 mins
5 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,793,310 441,847 10.85 2 hrs 13 mins
6 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 4,488,947 430,900 10.42 2 hrs 18 mins
7 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,338,552 419,521 10.34 2 hrs 19 mins
8 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,364,761 390,777 8.61 3 hrs 47 mins
9 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,351,839 391,673 8.56 3 hrs 48 mins
10 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,936,046 386,670 7.59 3 hrs 10 mins
11 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,775,113 368,778 7.53 3 hrs 11 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 2,570,221 357,377 7.19 3 hrs 20 mins
14 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,478,413 354,763 6.99 3 hrs 26 mins
15 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,410,210 351,423 6.86 3 hrs 30 mins
16 Radeon RX 6900 XT
Navi 21 [Radeon RX 6900 XT]
AMD Navi 21 2,255,054 340,973 6.61 4 hrs 38 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 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,104,705 333,889 6.30 4 hrs 48 mins
19 TITAN X
GP102 [TITAN X] 6144
Nvidia GP102 2,062,330 332,944 6.19 4 hrs 52 mins
20 GeForce RTX 3070 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 1,913,612 325,946 5.87 4 hrs 5 mins
21 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,776,761 317,256 5.60 4 hrs 17 mins
22 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,704,363 313,211 5.44 4 hrs 25 mins
23 Tesla P40
GP102GL [Tesla P40] 11760
Nvidia GP102GL 1,696,113 312,091 5.43 4 hrs 25 mins
24 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,642,496 323,489 5.08 5 hrs 44 mins
25 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,354,673 289,968 4.67 5 hrs 8 mins
26 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,301,490 286,634 4.54 5 hrs 17 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 1,267,068 283,664 4.47 5 hrs 22 mins
28 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,229,290 281,439 4.37 5 hrs 30 mins
29 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,204,830 264,301 4.56 5 hrs 16 mins
30 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,156,328 272,141 4.25 6 hrs 39 mins
31 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,154,143 275,270 4.19 6 hrs 43 mins
32 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,084,260 268,331 4.04 6 hrs 56 mins
33 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 859,362 249,308 3.45 7 hrs 58 mins
34 GeForce GTX 980
GM204 [GeForce GTX 980] 4612
Nvidia GM204 840,233 247,310 3.40 7 hrs 4 mins
35 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 772,017 240,591 3.21 7 hrs 29 mins
36 Tesla P4
GP104GL [Tesla P4] 5704
Nvidia GP104GL 693,549 231,730 2.99 8 hrs 1 mins
37 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 639,286 226,288 2.83 8 hrs 30 mins
38 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 598,644 221,474 2.70 9 hrs 53 mins
39 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 495,749 204,833 2.42 10 hrs 55 mins
40 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 494,801 206,460 2.40 10 hrs 1 mins
41 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 297,558 174,766 1.70 14 hrs 6 mins
42 P106-090
GP106 [P106-090]
Nvidia GP106 285,935 172,702 1.66 14 hrs 30 mins
43 GeForce GTX 1050 Ti Mobile
GP107M [GeForce GTX 1050 Ti Mobile]
Nvidia GP107M 283,906 172,840 1.64 15 hrs 37 mins
44 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 250,315 164,926 1.52 16 hrs 49 mins
45 GeForce GTX 660 Ti
GK104 [GeForce GTX 660 Ti] 2634
Nvidia GK104 207,379 151,873 1.37 18 hrs 35 mins
46 Quadro K2200
GM107GL [Quadro K2200]
Nvidia GM107GL 136,810 135,142 1.01 24 hrs 42 mins
47 GeForce GT 1030
GP108 [GeForce GT 1030] 1127
Nvidia GP108 117,418 95,644 1.23 20 hrs 33 mins
48 Quadro K1200
GM107GL [Quadro K1200]
Nvidia GM107GL 92,704 118,784 0.78 31 hrs 45 mins
49 Radeon RX Vega gfx902
raven [Radeon RX Vega gfx902]
AMD raven 58,025 101,267 0.57 42 hrs 53 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Sunday, 16 January 2022 11:42:04

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