PROJECT #16486 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 7,056,410 498,527 14.15 2 hrs 42 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 6,898,861 497,551 13.87 2 hrs 44 mins
3 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 5,523,266 462,659 11.94 2 hrs 1 mins
4 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,623,252 434,573 10.64 2 hrs 15 mins
5 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 4,355,576 428,597 10.16 2 hrs 22 mins
6 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,289,938 424,443 10.11 2 hrs 22 mins
7 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 3,933,886 361,713 10.88 2 hrs 12 mins
8 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,753,615 406,414 9.24 3 hrs 36 mins
9 GeForce RTX 3070 Lite Hash Rate
GA104 [GeForce RTX 3070 Lite Hash Rate]
Nvidia GA104 3,706,550 404,951 9.15 3 hrs 37 mins
10 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,449,520 396,350 8.70 3 hrs 45 mins
11 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 3,176,586 385,326 8.24 3 hrs 55 mins
12 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 3,102,613 375,944 8.25 3 hrs 54 mins
13 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,950,017 375,312 7.86 3 hrs 3 mins
14 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,902,018 373,986 7.76 3 hrs 6 mins
15 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,827,504 370,413 7.63 3 hrs 9 mins
16 RTX A4000
GA104GL [RTX A4000]
Nvidia GA104GL 2,767,722 366,739 7.55 3 hrs 11 mins
17 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 2,757,196 362,656 7.60 3 hrs 9 mins
18 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,703,991 365,411 7.40 3 hrs 15 mins
19 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,490,568 353,692 7.04 3 hrs 24 mins
20 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,437,687 352,647 6.91 3 hrs 28 mins
21 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,203,733 341,311 6.46 4 hrs 43 mins
22 GeForce RTX 3060
GA106 [GeForce RTX 3060]
Nvidia GA106 2,186,441 340,719 6.42 4 hrs 44 mins
23 GeForce RTX 3060 Lite Hash Rate
GA106 [GeForce RTX 3060 Lite Hash Rate]
Nvidia GA106 2,101,757 336,302 6.25 4 hrs 50 mins
24 Radeon RX 6900 XT
Navi 21 [Radeon RX 6900 XT]
AMD Navi 21 2,036,859 313,701 6.49 4 hrs 42 mins
25 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,912,401 324,982 5.88 4 hrs 5 mins
26 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,741,260 315,576 5.52 4 hrs 21 mins
27 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,738,338 313,029 5.55 4 hrs 19 mins
28 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 1,582,385 304,967 5.19 5 hrs 38 mins
29 GeForce RTX 3070 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 1,483,984 298,619 4.97 5 hrs 50 mins
30 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,370,825 291,221 4.71 5 hrs 6 mins
31 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,278,962 283,966 4.50 5 hrs 20 mins
32 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,155,727 275,416 4.20 6 hrs 43 mins
33 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 1,135,738 273,122 4.16 6 hrs 46 mins
34 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,076,986 258,579 4.17 6 hrs 46 mins
35 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,052,988 262,133 4.02 6 hrs 58 mins
36 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,018,632 254,879 4.00 6 hrs 0 mins
37 GeForce RTX 3050 Ti Mobile
GA107M [GeForce RTX 3050 Ti Mobile]
Nvidia GA107M 981,269 260,205 3.77 6 hrs 22 mins
38 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 956,275 258,593 3.70 6 hrs 29 mins
39 RTX A2000 Mobile
GA107GLM [RTX A2000 Mobile]
GA107GLM 955,237 259,069 3.69 7 hrs 31 mins
40 GeForce RTX 2060 Mobile / Max-Q
TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550
Nvidia TU106M 864,733 202,168 4.28 6 hrs 37 mins
41 GeForce RTX 2060 Mobile
TU106M [GeForce RTX 2060 Mobile]
Nvidia TU106M 860,590 185,088 4.65 5 hrs 10 mins
42 GeForce GTX 980
GM204 [GeForce GTX 980] 4612
Nvidia GM204 844,097 247,884 3.41 7 hrs 3 mins
43 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 745,263 237,451 3.14 8 hrs 39 mins
44 P104-100
GP104 [P104-100]
Nvidia GP104 737,673 237,000 3.11 8 hrs 43 mins
45 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 676,742 230,333 2.94 8 hrs 10 mins
46 Radeon RX 6700/6700 XT / 6800M
Navi 22 [Radeon RX 6700/6700 XT / 6800M]
AMD Navi 22 666,170 201,942 3.30 7 hrs 17 mins
47 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 609,749 216,700 2.81 9 hrs 32 mins
48 GeForce GTX 1070 Mobile
GP104BM [GeForce GTX 1070 Mobile] 6463
Nvidia GP104BM 592,898 210,836 2.81 9 hrs 32 mins
49 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 584,273 218,904 2.67 9 hrs 60 mins
50 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 561,429 206,059 2.72 9 hrs 49 mins
51 Quadro P2200
GP106GL [Quadro P2200]
Nvidia GP106GL 555,338 215,735 2.57 9 hrs 19 mins
52 P106-100
GP106 [P106-100]
Nvidia GP106 516,060 210,310 2.45 10 hrs 47 mins
53 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 496,760 207,542 2.39 10 hrs 2 mins
54 GeForce GTX 1650
TU117 [GeForce GTX 1650]
Nvidia TU117 414,443 186,683 2.22 11 hrs 49 mins
55 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 395,046 191,936 2.06 12 hrs 40 mins
56 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 334,137 181,582 1.84 13 hrs 3 mins
57 P106-090
GP106 [P106-090]
Nvidia GP106 289,161 173,551 1.67 14 hrs 24 mins
58 GeForce GTX 1050 Ti Mobile
GP107M [GeForce GTX 1050 Ti Mobile]
Nvidia GP107M 253,741 166,362 1.53 16 hrs 44 mins
59 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 248,722 163,962 1.52 16 hrs 49 mins
60 GeForce GTX 680
GK104 [GeForce GTX 680] 3250
Nvidia GK104 236,967 162,426 1.46 16 hrs 27 mins
61 GeForce GTX 770
GK104 [GeForce GTX 770] 3213
Nvidia GK104 229,028 159,756 1.43 17 hrs 44 mins
62 GeForce GTX 690
GK104 [GeForce GTX 690] 3130
Nvidia GK104 220,174 158,834 1.39 17 hrs 19 mins
63 Radeon HD 7800
Pitcairn [Radeon HD 7800]
AMD Pitcairn 178,055 147,397 1.21 20 hrs 52 mins
64 GTX 650 Ti Boost
GK106 [GTX 650 Ti Boost]
Nvidia GK106 114,540 126,416 0.91 26 hrs 29 mins
65 GeForce GT 1030
GP108 [GeForce GT 1030] 1127
Nvidia GP108 64,248 95,353 0.67 36 hrs 37 mins
66 FirePro W2100
Oland GL [FirePro W2100]
AMD Oland GL 16,311 69,645 0.23 102 hrs 29 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