PROJECT #16478 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: 187,566

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 6,736,566 493,132 13.66 2 hrs 45 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 6,465,584 481,677 13.42 2 hrs 47 mins
3 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 5,793,587 471,797 12.28 2 hrs 57 mins
4 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 5,716,327 456,673 12.52 2 hrs 55 mins
5 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,661,940 438,065 10.64 2 hrs 15 mins
6 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,551,221 436,050 10.44 2 hrs 18 mins
7 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 4,309,411 426,450 10.11 2 hrs 22 mins
8 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,191,339 386,518 8.26 3 hrs 54 mins
9 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,168,444 385,867 8.21 3 hrs 55 mins
10 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,783,210 369,515 7.53 3 hrs 11 mins
11 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,762,296 369,341 7.48 3 hrs 13 mins
12 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,608,754 361,662 7.21 3 hrs 20 mins
13 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,575,897 359,137 7.17 3 hrs 21 mins
14 Radeon RX 6900 XT
Navi 21 [Radeon RX 6900 XT]
AMD Navi 21 2,564,835 356,397 7.20 3 hrs 20 mins
15 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,552,177 359,125 7.11 3 hrs 23 mins
16 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,397,410 351,826 6.81 4 hrs 31 mins
17 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 2,195,223 341,520 6.43 4 hrs 44 mins
18 GeForce RTX 3070 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 2,136,818 339,175 6.30 4 hrs 49 mins
19 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 2,135,554 338,603 6.31 4 hrs 48 mins
20 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,134,203 337,249 6.33 4 hrs 48 mins
21 TITAN X
GP102 [TITAN X] 6144
Nvidia GP102 2,098,411 335,788 6.25 4 hrs 50 mins
22 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,808,794 320,415 5.65 4 hrs 15 mins
23 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,722,160 315,676 5.46 4 hrs 24 mins
24 Tesla P40
GP102GL [Tesla P40] 11760
Nvidia GP102GL 1,694,187 312,745 5.42 4 hrs 26 mins
25 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 1,615,821 305,382 5.29 5 hrs 32 mins
26 GeForce RTX 3060 Mobile / Max-Q
GA106M [GeForce RTX 3060 Mobile / Max-Q]
Nvidia GA106M 1,605,540 308,462 5.20 5 hrs 37 mins
27 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,576,474 305,764 5.16 5 hrs 39 mins
28 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,326,921 289,451 4.58 5 hrs 14 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 1,187,512 278,048 4.27 6 hrs 37 mins
30 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,180,778 277,528 4.25 6 hrs 38 mins
31 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,171,773 277,157 4.23 6 hrs 41 mins
32 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,122,793 264,940 4.24 6 hrs 40 mins
33 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,079,782 267,004 4.04 6 hrs 56 mins
34 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 914,767 255,270 3.58 7 hrs 42 mins
35 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 748,052 237,470 3.15 8 hrs 37 mins
36 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 697,478 233,295 2.99 8 hrs 2 mins
37 Tesla P4
GP104GL [Tesla P4] 5704
Nvidia GP104GL 691,380 232,415 2.97 8 hrs 4 mins
38 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 493,733 192,970 2.56 9 hrs 23 mins
39 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 452,424 202,091 2.24 11 hrs 43 mins
40 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 298,185 175,665 1.70 14 hrs 8 mins
41 GeForce GTX 1050 Ti Mobile
GP107M [GeForce GTX 1050 Ti Mobile]
Nvidia GP107M 253,536 167,227 1.52 16 hrs 50 mins
42 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 249,470 164,561 1.52 16 hrs 50 mins
43 GeForce GTX 660 Ti
GK104 [GeForce GTX 660 Ti] 2634
Nvidia GK104 214,098 156,533 1.37 18 hrs 33 mins
44 Radeon R9 200/300 Series
Tonga [Radeon R9 200/300 Series]
AMD Tonga 169,801 113,893 1.49 16 hrs 6 mins
45 Radeon RX 550 Series
AMD/ATI [Radeon RX 550 Series]
AMD AMD/ATI 78,111 111,499 0.70 34 hrs 16 mins
46 Ryzen 4900HS mobile
Renoir [Ryzen 4900HS mobile]
AMD Renoir 22,372 72,673 0.31 78 hrs 58 mins
47 Radeon RX Vega gfx902
raven [Radeon RX Vega gfx902]
AMD raven 12,167 69,984 0.17 138 hrs 3 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