PROJECT #16475 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: 187,489

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 7,118,997 501,460 14.20 2 hrs 41 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 6,309,646 478,567 13.18 2 hrs 49 mins
3 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 5,867,055 472,082 12.43 2 hrs 56 mins
4 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 5,683,023 464,518 12.23 2 hrs 58 mins
5 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,507,258 431,823 10.44 2 hrs 18 mins
6 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,494,088 432,486 10.39 2 hrs 19 mins
7 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 4,253,365 423,730 10.04 2 hrs 23 mins
8 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,345,935 392,492 8.52 3 hrs 49 mins
9 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,303,791 389,920 8.47 3 hrs 50 mins
10 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,842,018 371,810 7.64 3 hrs 8 mins
11 Radeon RX 6900 XT
Navi 21 [Radeon RX 6900 XT]
AMD Navi 21 2,779,475 365,538 7.60 3 hrs 9 mins
12 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,773,903 367,348 7.55 3 hrs 11 mins
13 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,605,464 360,338 7.23 3 hrs 19 mins
14 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,417,520 351,920 6.87 3 hrs 30 mins
15 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,398,019 350,308 6.85 4 hrs 30 mins
16 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,252,650 341,524 6.60 4 hrs 38 mins
17 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 2,174,818 339,493 6.41 4 hrs 45 mins
18 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 2,104,233 336,681 6.25 4 hrs 50 mins
19 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,077,506 333,333 6.23 4 hrs 51 mins
20 GeForce RTX 3070 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 2,058,075 332,759 6.18 4 hrs 53 mins
21 TITAN X
GP102 [TITAN X] 6144
Nvidia GP102 2,043,654 332,134 6.15 4 hrs 54 mins
22 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 1,773,236 317,078 5.59 4 hrs 17 mins
23 Tesla P40
GP102GL [Tesla P40] 11760
Nvidia GP102GL 1,728,115 314,759 5.49 4 hrs 22 mins
24 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,718,174 313,055 5.49 4 hrs 22 mins
25 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,699,895 312,499 5.44 4 hrs 25 mins
26 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,213,864 268,301 4.52 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 1,211,045 278,501 4.35 6 hrs 31 mins
28 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,179,939 269,859 4.37 5 hrs 29 mins
29 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,166,949 276,329 4.22 6 hrs 41 mins
30 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,002,929 248,556 4.04 6 hrs 57 mins
31 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 932,723 256,059 3.64 7 hrs 35 mins
32 GeForce GTX 980
GM204 [GeForce GTX 980] 4612
Nvidia GM204 755,152 233,594 3.23 7 hrs 25 mins
33 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 746,561 238,002 3.14 8 hrs 39 mins
34 P104-100
GP104 [P104-100]
Nvidia GP104 738,045 236,902 3.12 8 hrs 42 mins
35 Tesla P4
GP104GL [Tesla P4] 5704
Nvidia GP104GL 692,679 231,971 2.99 8 hrs 2 mins
36 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 461,433 203,343 2.27 11 hrs 35 mins
37 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 379,358 189,039 2.01 12 hrs 58 mins
38 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 304,240 176,925 1.72 14 hrs 57 mins
39 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 294,617 173,931 1.69 14 hrs 10 mins
40 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 251,737 166,076 1.52 16 hrs 50 mins
41 GeForce GTX 1050 Ti Mobile
GP107M [GeForce GTX 1050 Ti Mobile]
Nvidia GP107M 201,920 154,062 1.31 18 hrs 19 mins
42 GeForce GTX 750 Ti
GM107 [GeForce GTX 750 Ti] 1389
Nvidia GM107 134,674 134,542 1.00 24 hrs 59 mins
43 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 114,080 127,460 0.90 27 hrs 49 mins
44 GeForce GT 1030
GP108 [GeForce GT 1030] 1127
Nvidia GP108 98,723 92,470 1.07 22 hrs 29 mins
45 Quadro K1200
GM107GL [Quadro K1200]
Nvidia GM107GL 94,111 119,491 0.79 30 hrs 28 mins
46 GRID M40
GM107GL [GRID M40]
Nvidia GM107GL 80,206 113,438 0.71 34 hrs 57 mins
47 Radeon WX 3100
[Radeon WX 3100]
AMD 78,469 112,409 0.70 34 hrs 23 mins
48 Radeon RX Vega gfx902
raven [Radeon RX Vega gfx902]
AMD raven 9,496 69,680 0.14 176 hrs 6 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