PROJECT #16474 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: 187,472

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 7,018,514 497,685 14.10 2 hrs 42 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 6,202,787 475,142 13.05 2 hrs 50 mins
3 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 5,955,395 473,945 12.57 2 hrs 55 mins
4 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 5,852,729 470,690 12.43 2 hrs 56 mins
5 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 4,395,642 428,118 10.27 2 hrs 20 mins
6 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,384,111 427,872 10.25 2 hrs 21 mins
7 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,366,732 427,580 10.21 2 hrs 21 mins
8 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,361,922 390,888 8.60 3 hrs 47 mins
9 Radeon RX 6900 XT
Navi 21 [Radeon RX 6900 XT]
AMD Navi 21 2,959,959 371,145 7.98 3 hrs 1 mins
10 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 2,957,463 376,194 7.86 3 hrs 3 mins
11 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,725,479 365,217 7.46 3 hrs 13 mins
12 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,622,315 356,346 7.36 3 hrs 16 mins
13 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,593,592 358,143 7.24 3 hrs 19 mins
14 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,589,384 359,454 7.20 3 hrs 20 mins
15 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,336,373 347,630 6.72 4 hrs 34 mins
16 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 2,160,953 338,473 6.38 4 hrs 46 mins
17 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,152,713 335,640 6.41 4 hrs 45 mins
18 GeForce RTX 3070 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 2,055,665 333,423 6.17 4 hrs 54 mins
19 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,045,521 325,071 6.29 4 hrs 49 mins
20 TITAN X
GP102 [TITAN X] 6144
Nvidia GP102 2,034,790 328,720 6.19 4 hrs 53 mins
21 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 1,901,777 311,288 6.11 4 hrs 56 mins
22 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 1,796,654 318,368 5.64 4 hrs 15 mins
23 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,747,332 315,322 5.54 4 hrs 20 mins
24 Tesla P40
GP102GL [Tesla P40] 11760
Nvidia GP102GL 1,730,613 313,461 5.52 4 hrs 21 mins
25 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,672,443 311,047 5.38 4 hrs 28 mins
26 GeForce RTX 3060 Mobile / Max-Q
GA106M [GeForce RTX 3060 Mobile / Max-Q]
Nvidia GA106M 1,601,392 307,254 5.21 5 hrs 36 mins
27 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,311,327 287,309 4.56 5 hrs 16 mins
28 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,259,148 283,113 4.45 5 hrs 24 mins
29 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 1,251,643 282,057 4.44 5 hrs 25 mins
30 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,183,745 275,959 4.29 6 hrs 36 mins
31 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,152,031 274,532 4.20 6 hrs 43 mins
32 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,057,347 262,412 4.03 6 hrs 57 mins
33 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 918,069 255,526 3.59 7 hrs 41 mins
34 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 810,307 244,470 3.31 7 hrs 14 mins
35 P104-100
GP104 [P104-100]
Nvidia GP104 739,176 236,750 3.12 8 hrs 41 mins
36 Tesla P4
GP104GL [Tesla P4] 5704
Nvidia GP104GL 698,072 232,508 3.00 8 hrs 60 mins
37 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 532,571 213,203 2.50 10 hrs 36 mins
38 P106-100
GP106 [P106-100]
Nvidia GP106 502,659 208,422 2.41 10 hrs 57 mins
39 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 418,733 193,824 2.16 11 hrs 7 mins
40 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 399,581 192,301 2.08 12 hrs 33 mins
41 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 372,349 137,907 2.70 9 hrs 53 mins
42 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 342,851 184,124 1.86 13 hrs 53 mins
43 P106-090
GP106 [P106-090]
Nvidia GP106 286,109 172,635 1.66 14 hrs 29 mins
44 GeForce GTX 1050 Ti Mobile
GP107M [GeForce GTX 1050 Ti Mobile]
Nvidia GP107M 274,168 170,720 1.61 15 hrs 57 mins
45 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 249,532 164,755 1.51 16 hrs 51 mins
46 GeForce GTX 660 Ti
GK104 [GeForce GTX 660 Ti] 2634
Nvidia GK104 202,161 147,642 1.37 18 hrs 32 mins
47 GeForce GTX 690
GK104 [GeForce GTX 690] 3130
Nvidia GK104 181,465 132,623 1.37 18 hrs 32 mins
48 Quadro P620
GP107GL [Quadro P620]
Nvidia GP107GL 133,767 134,021 1.00 24 hrs 3 mins
49 GeForce GT 1030
GP108 [GeForce GT 1030] 1127
Nvidia GP108 79,921 98,871 0.81 30 hrs 41 mins
50 GRID M40
GM107GL [GRID M40]
Nvidia GM107GL 77,518 112,072 0.69 35 hrs 42 mins
51 Radeon RX Vega gfx902
raven [Radeon RX Vega gfx902]
AMD raven 20,072 69,600 0.29 83 hrs 13 mins
52 Radeon APU A4-6000 R2
Mullins [Radeon APU A4-6000 R2]
AMD Mullins 5,304 69,600 0.08 315 hrs 56 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