PROJECT #16484 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 16474–16487 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: 187,500

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Friday, 03 December 2021 04:36:11

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 6,954,589 493,854 14.08 2 hrs 42 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 6,758,536 487,887 13.85 2 hrs 44 mins
3 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 6,652,329 490,169 13.57 2 hrs 46 mins
4 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 5,373,671 456,881 11.76 2 hrs 2 mins
5 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,663,427 434,454 10.73 2 hrs 14 mins
6 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 4,436,536 429,365 10.33 2 hrs 19 mins
7 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,149,614 418,822 9.91 2 hrs 25 mins
8 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,708,061 404,438 9.17 3 hrs 37 mins
9 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,332,538 390,089 8.54 3 hrs 49 mins
10 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 3,140,878 382,278 8.22 3 hrs 55 mins
11 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,968,606 375,480 7.91 3 hrs 2 mins
12 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,891,710 372,512 7.76 3 hrs 6 mins
13 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 2,887,813 365,176 7.91 3 hrs 2 mins
14 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,819,697 368,961 7.64 3 hrs 8 mins
15 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 2,786,859 367,419 7.58 3 hrs 10 mins
16 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,705,017 364,039 7.43 3 hrs 14 mins
17 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,282,544 339,508 6.72 4 hrs 34 mins
18 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,239,518 341,126 6.57 4 hrs 39 mins
19 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 2,177,568 338,896 6.43 4 hrs 44 mins
20 GeForce RTX 3060
GA106 [GeForce RTX 3060]
Nvidia GA106 2,127,087 336,213 6.33 4 hrs 48 mins
21 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,112,816 335,382 6.30 4 hrs 49 mins
22 GeForce RTX 3060
GA104 [GeForce RTX 3060]
Nvidia GA104 2,029,989 331,267 6.13 4 hrs 55 mins
23 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,990,609 328,591 6.06 4 hrs 58 mins
24 Radeon RX 6900 XT
Navi 21 [Radeon RX 6900 XT]
AMD Navi 21 1,949,887 319,992 6.09 4 hrs 56 mins
25 GeForce RTX 3060 Lite Hash Rate
GA106 [GeForce RTX 3060 Lite Hash Rate]
Nvidia GA106 1,751,410 305,096 5.74 4 hrs 11 mins
26 GeForce RTX 3070 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 1,668,009 310,089 5.38 4 hrs 28 mins
27 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,657,609 308,780 5.37 4 hrs 28 mins
28 GeForce RTX 3070 Lite Hash Rate
GA104 [GeForce RTX 3070 Lite Hash Rate]
Nvidia GA104 1,454,240 295,966 4.91 5 hrs 53 mins
29 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 1,402,198 292,981 4.79 5 hrs 1 mins
30 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,369,569 290,353 4.72 5 hrs 5 mins
31 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 1,307,966 286,506 4.57 5 hrs 15 mins
32 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,250,253 282,220 4.43 5 hrs 25 mins
33 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,204,394 278,413 4.33 6 hrs 33 mins
34 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,159,582 274,545 4.22 6 hrs 41 mins
35 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,087,719 261,786 4.15 6 hrs 47 mins
36 RTX A2000 Mobile
GA107GLM [RTX A2000 Mobile]
GA107GLM 1,006,653 262,739 3.83 6 hrs 16 mins
37 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 993,993 249,405 3.99 6 hrs 1 mins
38 Radeon RX 6700/6700 XT / 6800M
Navi 22 [Radeon RX 6700/6700 XT / 6800M]
AMD Navi 22 992,311 254,517 3.90 6 hrs 9 mins
39 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 952,205 247,593 3.85 6 hrs 14 mins
40 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 869,474 249,395 3.49 7 hrs 53 mins
41 GeForce GTX 980
GM204 [GeForce GTX 980] 4612
Nvidia GM204 811,687 243,839 3.33 7 hrs 13 mins
42 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 765,171 238,448 3.21 7 hrs 29 mins
43 P104-100
GP104 [P104-100]
Nvidia GP104 734,433 235,965 3.11 8 hrs 43 mins
44 GeForce RTX 2060 Mobile / Max-Q
TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550
Nvidia TU106M 648,075 151,717 4.27 6 hrs 37 mins
45 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 643,056 225,607 2.85 8 hrs 25 mins
46 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 639,017 224,298 2.85 8 hrs 25 mins
47 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 621,860 223,205 2.79 9 hrs 37 mins
48 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 603,479 220,969 2.73 9 hrs 47 mins
49 P106-100
GP106 [P106-100]
Nvidia GP106 484,037 205,262 2.36 10 hrs 11 mins
50 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 452,141 200,729 2.25 11 hrs 39 mins
51 GeForce GTX 1650
TU117 [GeForce GTX 1650]
Nvidia TU117 434,256 192,060 2.26 11 hrs 37 mins
52 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 396,464 192,009 2.06 12 hrs 37 mins
53 Quadro T1000 Mobile
TU117GLM [Quadro T1000 Mobile]
Nvidia TU117GLM 345,613 184,101 1.88 13 hrs 47 mins
54 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 342,777 184,481 1.86 13 hrs 55 mins
55 P106-090
GP106 [P106-090]
Nvidia GP106 309,122 176,848 1.75 14 hrs 44 mins
56 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 281,982 171,242 1.65 15 hrs 34 mins
57 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 249,272 164,123 1.52 16 hrs 48 mins
58 GeForce GTX 1050 Ti Mobile
GP107M [GeForce GTX 1050 Ti Mobile]
Nvidia GP107M 246,160 164,047 1.50 16 hrs 60 mins
59 GeForce GTX 680
GK104 [GeForce GTX 680] 3250
Nvidia GK104 235,433 161,604 1.46 16 hrs 28 mins
60 GeForce GTX 690
GK104 [GeForce GTX 690] 3130
Nvidia GK104 229,998 159,985 1.44 17 hrs 42 mins
61 Radeon HD 7800
Pitcairn [Radeon HD 7800]
AMD Pitcairn 187,594 149,631 1.25 19 hrs 9 mins
62 Radeon R9 200 Series
Hawaii [Radeon R9 200 Series]
AMD Hawaii 187,497 149,753 1.25 19 hrs 10 mins
63 GeForce GT 1030
GP108 [GeForce GT 1030] 1127
Nvidia GP108 175,405 97,315 1.80 13 hrs 19 mins
64 Quadro P620
GP107GL [Quadro P620]
Nvidia GP107GL 132,109 133,170 0.99 24 hrs 12 mins
65 Quadro K5000
GK104 [Quadro K5000]
Nvidia GK104 111,366 69,346 1.61 15 hrs 57 mins
66 Radeon RX Vega gfx902
raven [Radeon RX Vega gfx902]
AMD raven 60,155 102,305 0.59 41 hrs 49 mins
67 GeForce GT 730
GK208B [GeForce GT 730] 692.7
Nvidia GK208B 30,987 82,249 0.38 64 hrs 42 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Friday, 03 December 2021 04:36:11

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