PROJECT #16483 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: 187,583

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Tuesday, 28 September 2021 06:02:48

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 7,055,647 502,184 14.05 2 hrs 42 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 6,136,072 474,047 12.94 2 hrs 51 mins
3 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 5,928,171 474,795 12.49 2 hrs 55 mins
4 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 5,777,692 470,413 12.28 2 hrs 57 mins
5 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,558,152 435,718 10.46 2 hrs 18 mins
6 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,333,215 426,765 10.15 2 hrs 22 mins
7 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 4,093,147 419,087 9.77 2 hrs 27 mins
8 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,437,612 396,554 8.67 3 hrs 46 mins
9 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,287,632 389,668 8.44 3 hrs 51 mins
10 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,817,083 369,443 7.63 3 hrs 9 mins
11 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,698,504 366,317 7.37 3 hrs 15 mins
12 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,599,285 360,980 7.20 3 hrs 20 mins
13 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,529,695 356,679 7.09 3 hrs 23 mins
14 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,527,341 357,738 7.06 3 hrs 24 mins
15 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,520,700 357,192 7.06 3 hrs 24 mins
16 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 2,235,389 343,354 6.51 4 hrs 41 mins
17 Radeon RX 6900 XT
Navi 21 [Radeon RX 6900 XT]
AMD Navi 21 2,187,238 340,860 6.42 4 hrs 44 mins
18 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 2,135,749 337,652 6.33 4 hrs 48 mins
19 GeForce RTX 3070 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 2,072,395 336,050 6.17 4 hrs 54 mins
20 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,072,258 331,331 6.25 4 hrs 50 mins
21 TITAN X
GP102 [TITAN X] 6144
Nvidia GP102 2,040,503 332,398 6.14 4 hrs 55 mins
22 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 1,767,421 317,576 5.57 4 hrs 19 mins
23 Tesla P40
GP102GL [Tesla P40] 11760
Nvidia GP102GL 1,704,132 313,070 5.44 4 hrs 25 mins
24 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,663,760 302,532 5.50 4 hrs 22 mins
25 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,355,948 291,905 4.65 5 hrs 10 mins
26 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,271,664 284,802 4.47 5 hrs 23 mins
27 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,210,532 273,013 4.43 5 hrs 25 mins
28 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,199,616 278,174 4.31 6 hrs 34 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 1,197,907 271,665 4.41 5 hrs 27 mins
30 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,171,044 276,733 4.23 6 hrs 40 mins
31 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,048,040 264,152 3.97 6 hrs 3 mins
32 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 931,868 256,892 3.63 7 hrs 37 mins
33 Tesla P4
GP104GL [Tesla P4] 5704
Nvidia GP104GL 699,410 233,214 3.00 8 hrs 0 mins
34 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 684,016 231,430 2.96 8 hrs 7 mins
35 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 678,838 230,022 2.95 8 hrs 8 mins
36 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 602,030 221,824 2.71 9 hrs 51 mins
37 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 587,436 198,532 2.96 8 hrs 7 mins
38 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 381,210 190,301 2.00 12 hrs 59 mins
39 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 337,528 185,172 1.82 13 hrs 10 mins
40 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 296,448 175,577 1.69 14 hrs 13 mins
41 GeForce GTX 660 Ti
GK104 [GeForce GTX 660 Ti] 2634
Nvidia GK104 206,663 151,261 1.37 18 hrs 34 mins
42 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 191,683 151,670 1.26 19 hrs 59 mins
43 GeForce GTX 690
GK104 [GeForce GTX 690] 3130
Nvidia GK104 185,616 130,447 1.42 17 hrs 52 mins
44 GeForce GTX 750 Ti
GM107 [GeForce GTX 750 Ti] 1389
Nvidia GM107 143,733 137,933 1.04 23 hrs 2 mins
45 Quadro K2200
GM107GL [Quadro K2200]
Nvidia GM107GL 136,858 135,559 1.01 24 hrs 46 mins
46 Quadro K1200
GM107GL [Quadro K1200]
Nvidia GM107GL 94,347 119,813 0.79 30 hrs 29 mins
47 GeForce GT 1030
GP108 [GeForce GT 1030] 1127
Nvidia GP108 93,264 105,598 0.88 27 hrs 10 mins
48 GeForce GTX 960M
GM107 [GeForce GTX 960M] 1439
Nvidia GM107 76,337 103,857 0.74 33 hrs 39 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Tuesday, 28 September 2021 06:02:48

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