PROJECT #16472 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: 187,470

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Thursday, 01 December 2022 06:13:31

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 6,636,809 475,150 13.97 2 hrs 43 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 6,128,798 462,469 13.25 2 hrs 49 mins
3 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 5,626,900 452,153 12.44 2 hrs 56 mins
4 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 5,076,444 428,784 11.84 2 hrs 2 mins
5 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,648,436 424,506 10.95 2 hrs 12 mins
6 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 4,223,427 410,455 10.29 2 hrs 20 mins
7 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,133,350 407,084 10.15 2 hrs 22 mins
8 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,190,923 374,379 8.52 3 hrs 49 mins
9 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,172,221 374,311 8.47 3 hrs 50 mins
10 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,685,943 353,069 7.61 3 hrs 9 mins
11 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,634,879 352,068 7.48 3 hrs 12 mins
12 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,485,960 344,998 7.21 3 hrs 20 mins
13 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,424,966 340,698 7.12 3 hrs 22 mins
14 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,345,553 338,111 6.94 3 hrs 28 mins
15 Radeon RX 6900 XT
Navi 21 [Radeon RX 6900 XT]
AMD Navi 21 2,151,554 327,343 6.57 4 hrs 39 mins
16 GeForce RTX 3060 Lite Hash Rate
GA106 [GeForce RTX 3060 Lite Hash Rate]
Nvidia GA106 2,089,292 325,834 6.41 4 hrs 45 mins
17 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 2,083,396 325,209 6.41 4 hrs 45 mins
18 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,057,096 322,183 6.38 4 hrs 46 mins
19 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,033,447 318,252 6.39 4 hrs 45 mins
20 TITAN X
GP102 [TITAN X] 6144
Nvidia GP102 1,974,476 318,785 6.19 4 hrs 52 mins
21 GeForce RTX 3070 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 1,786,372 309,509 5.77 4 hrs 9 mins
22 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,658,119 301,278 5.50 4 hrs 22 mins
23 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,649,879 293,342 5.62 4 hrs 16 mins
24 Tesla P40
GP102GL [Tesla P40] 11760
Nvidia GP102GL 1,641,831 300,422 5.47 4 hrs 23 mins
25 GeForce RTX 3060 Mobile / Max-Q
GA106M [GeForce RTX 3060 Mobile / Max-Q]
Nvidia GA106M 1,623,876 300,799 5.40 4 hrs 27 mins
26 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,288,884 208,555 6.18 4 hrs 53 mins
27 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,276,213 276,665 4.61 5 hrs 12 mins
28 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,236,216 273,722 4.52 5 hrs 19 mins
29 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,160,780 265,795 4.37 5 hrs 30 mins
30 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 1,125,405 264,427 4.26 6 hrs 38 mins
31 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,084,553 259,824 4.17 6 hrs 45 mins
32 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,050,396 244,580 4.29 6 hrs 35 mins
33 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 874,698 243,766 3.59 7 hrs 41 mins
34 GeForce RTX 2060 Mobile / Max-Q
TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550
Nvidia TU106M 817,572 192,949 4.24 6 hrs 40 mins
35 GeForce GTX 980
GM204 [GeForce GTX 980] 4612
Nvidia GM204 732,616 226,400 3.24 7 hrs 25 mins
36 P104-100
GP104 [P104-100]
Nvidia GP104 710,616 227,412 3.12 8 hrs 41 mins
37 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 656,560 221,299 2.97 8 hrs 5 mins
38 Tesla P4
GP104GL [Tesla P4] 5704
Nvidia GP104GL 655,749 221,363 2.96 8 hrs 6 mins
39 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 635,488 218,853 2.90 8 hrs 16 mins
40 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 572,224 211,563 2.70 9 hrs 52 mins
41 GeForce GTX 1650
TU116 [GeForce GTX 1650] 2984
Nvidia TU116 552,782 209,780 2.64 9 hrs 6 mins
42 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 490,299 201,072 2.44 10 hrs 51 mins
43 Quadro T2000 Mobile / Max-Q
TU117GLM [Quadro T2000 Mobile / Max-Q]
Nvidia TU117GLM 425,108 188,912 2.25 11 hrs 40 mins
44 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 412,506 189,505 2.18 11 hrs 2 mins
45 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 318,573 174,331 1.83 13 hrs 8 mins
46 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 310,006 172,988 1.79 13 hrs 24 mins
47 P106-090
GP106 [P106-090]
Nvidia GP106 274,450 165,335 1.66 14 hrs 27 mins
48 Radeon R9 200/300X Series
Hawaii [Radeon R9 200/300X Series]
AMD Hawaii 243,067 134,783 1.80 13 hrs 18 mins
49 GeForce GTX 1050 Ti Mobile
GP107M [GeForce GTX 1050 Ti Mobile]
Nvidia GP107M 204,082 150,035 1.36 18 hrs 39 mins
50 GeForce GTX 660 Ti
GK104 [GeForce GTX 660 Ti] 2634
Nvidia GK104 201,981 147,244 1.37 17 hrs 30 mins
51 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 148,793 117,919 1.26 19 hrs 1 mins
52 GeForce GTX 750 Ti
GM107 [GeForce GTX 750 Ti] 1389
Nvidia GM107 139,504 132,284 1.05 23 hrs 45 mins
53 Quadro K2200
GM107GL [Quadro K2200]
Nvidia GM107GL 131,364 129,759 1.01 24 hrs 42 mins
54 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 109,741 121,938 0.90 27 hrs 40 mins
55 GRID M40
GM107GL [GRID M40]
Nvidia GM107GL 83,435 103,398 0.81 30 hrs 45 mins
56 Radeon RX 550 Series
AMD/ATI [Radeon RX 550 Series]
AMD AMD/ATI 72,353 107,608 0.67 36 hrs 42 mins
57 Radeon R7/R6 360 Series
Bonaire [Radeon R7/R6 360 Series]
AMD Bonaire 51,316 95,090 0.54 44 hrs 28 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Thursday, 01 December 2022 06:13:31

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