PROJECT #16473 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: 187,469

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 6,685,249 473,485 14.12 2 hrs 42 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 5,983,220 452,302 13.23 2 hrs 49 mins
3 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 5,709,857 455,683 12.53 2 hrs 55 mins
4 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 5,286,013 441,932 11.96 2 hrs 0 mins
5 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,378,722 416,609 10.51 2 hrs 17 mins
6 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,376,891 415,559 10.53 2 hrs 17 mins
7 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 4,079,788 400,776 10.18 2 hrs 21 mins
8 Radeon RX 6900 XT
Navi 21 [Radeon RX 6900 XT]
AMD Navi 21 3,896,757 401,402 9.71 2 hrs 28 mins
9 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,234,140 376,447 8.59 3 hrs 48 mins
10 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,032,726 363,861 8.33 3 hrs 53 mins
11 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,666,435 351,861 7.58 3 hrs 10 mins
12 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,494,169 345,826 7.21 3 hrs 20 mins
13 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,479,255 344,746 7.19 3 hrs 20 mins
14 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,353,248 339,099 6.94 3 hrs 28 mins
15 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,329,706 337,972 6.89 3 hrs 29 mins
16 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,294,555 334,611 6.86 3 hrs 30 mins
17 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 2,072,584 324,892 6.38 4 hrs 46 mins
18 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,066,919 323,819 6.38 4 hrs 46 mins
19 GeForce RTX 3070 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 1,991,300 321,640 6.19 4 hrs 53 mins
20 TITAN X
GP102 [TITAN X] 6144
Nvidia GP102 1,959,149 318,568 6.15 4 hrs 54 mins
21 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,702,593 304,633 5.59 4 hrs 18 mins
22 Tesla P40
GP102GL [Tesla P40] 11760
Nvidia GP102GL 1,666,017 301,830 5.52 4 hrs 21 mins
23 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 1,649,090 301,329 5.47 4 hrs 23 mins
24 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,558,152 295,959 5.26 5 hrs 34 mins
25 GeForce RTX 3060 Mobile / Max-Q
GA106M [GeForce RTX 3060 Mobile / Max-Q]
Nvidia GA106M 1,539,903 294,701 5.23 5 hrs 36 mins
26 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,472,233 289,825 5.08 5 hrs 43 mins
27 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,255,155 275,487 4.56 5 hrs 16 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 1,230,310 272,901 4.51 5 hrs 19 mins
29 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,159,075 261,850 4.43 5 hrs 25 mins
30 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,030,839 249,021 4.14 6 hrs 48 mins
31 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 895,739 245,617 3.65 7 hrs 35 mins
32 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 879,156 236,565 3.72 6 hrs 27 mins
33 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 836,411 240,749 3.47 7 hrs 54 mins
34 Radeon RX 6700/6700 XT / 6800M
Navi 22 [Radeon RX 6700/6700 XT / 6800M]
AMD Navi 22 686,434 225,579 3.04 8 hrs 53 mins
35 Tesla P4
GP104GL [Tesla P4] 5704
Nvidia GP104GL 666,287 222,593 2.99 8 hrs 1 mins
36 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 635,612 216,844 2.93 8 hrs 11 mins
37 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 569,247 211,292 2.69 9 hrs 54 mins
38 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 470,035 198,412 2.37 10 hrs 8 mins
39 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 429,975 191,173 2.25 11 hrs 40 mins
40 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 413,129 190,067 2.17 11 hrs 2 mins
41 GeForce GTX 1050 Ti Mobile
GP107M [GeForce GTX 1050 Ti Mobile]
Nvidia GP107M 206,360 149,932 1.38 17 hrs 26 mins
42 GeForce GT 1030
GP108 [GeForce GT 1030] 1127
Nvidia GP108 123,225 127,099 0.97 25 hrs 45 mins
43 GRID M40
GM107GL [GRID M40]
Nvidia GM107GL 84,173 105,825 0.80 30 hrs 10 mins
44 Radeon APU A4-6000 R2
Mullins [Radeon APU A4-6000 R2]
AMD Mullins 5,478 66,808 0.08 293 hrs 42 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