PROJECT #16487 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: 187,585

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Monday, 23 May 2022 03:34:45

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 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 7,147,808 502,824 14.22 2 hrs 41 mins
2 GeForce RTX 3090
GA102 [GeForce RTX 3090]
Nvidia GA102 7,135,026 500,466 14.26 2 hrs 41 mins
3 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 5,786,430 467,123 12.39 2 hrs 56 mins
4 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 5,174,942 443,548 11.67 2 hrs 3 mins
5 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,502,999 431,349 10.44 2 hrs 18 mins
6 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 4,296,371 425,257 10.10 2 hrs 23 mins
7 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,199,234 422,249 9.94 2 hrs 25 mins
8 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,759,377 408,166 9.21 3 hrs 36 mins
9 GeForce RTX 3070 Lite Hash Rate
GA104 [GeForce RTX 3070 Lite Hash Rate]
Nvidia GA104 3,731,332 408,089 9.14 3 hrs 37 mins
10 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,385,243 394,528 8.58 3 hrs 48 mins
11 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 3,164,167 379,586 8.34 3 hrs 53 mins
12 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 3,082,745 382,204 8.07 3 hrs 59 mins
13 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 3,011,048 378,955 7.95 3 hrs 1 mins
14 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,939,219 376,103 7.81 3 hrs 4 mins
15 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,879,435 373,728 7.70 3 hrs 7 mins
16 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 2,864,801 372,350 7.69 3 hrs 7 mins
17 RTX A4000
GA104GL [RTX A4000]
Nvidia GA104GL 2,746,197 368,109 7.46 3 hrs 13 mins
18 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,706,982 366,120 7.39 3 hrs 15 mins
19 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,538,008 358,266 7.08 3 hrs 23 mins
20 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,443,292 350,598 6.97 3 hrs 27 mins
21 Tesla P100 16GB
GP100GL [Tesla P100 16GB] 9340
Nvidia GP100GL 2,418,686 352,725 6.86 3 hrs 30 mins
22 GeForce RTX 3070 Mobile / Max-Q
GA104M [GeForce RTX 3070 Mobile / Max-Q]
Nvidia GA104M 2,415,433 357,433 6.76 4 hrs 33 mins
23 GeForce RTX 3060
GA106 [GeForce RTX 3060]
Nvidia GA106 2,217,199 342,736 6.47 4 hrs 43 mins
24 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,212,829 342,466 6.46 4 hrs 43 mins
25 GeForce RTX 3060 Mobile / Max-Q
GA106M [GeForce RTX 3060 Mobile / Max-Q]
Nvidia GA106M 2,080,483 335,048 6.21 4 hrs 52 mins
26 GeForce RTX 3060 Lite Hash Rate
GA106 [GeForce RTX 3060 Lite Hash Rate]
Nvidia GA106 2,039,821 332,964 6.13 4 hrs 55 mins
27 GeForce RTX 3060
GA104 [GeForce RTX 3060]
Nvidia GA104 1,931,388 327,202 5.90 4 hrs 4 mins
28 Radeon RX 6900 XT
Navi 21 [Radeon RX 6900 XT]
AMD Navi 21 1,817,244 296,791 6.12 4 hrs 55 mins
29 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,788,388 318,097 5.62 4 hrs 16 mins
30 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,744,815 316,810 5.51 4 hrs 21 mins
31 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,705,494 313,887 5.43 4 hrs 25 mins
32 GeForce RTX 3070 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 1,597,226 307,027 5.20 5 hrs 37 mins
33 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 1,519,933 301,922 5.03 5 hrs 46 mins
34 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,366,170 291,346 4.69 5 hrs 7 mins
35 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,311,310 286,766 4.57 5 hrs 15 mins
36 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,174,500 276,987 4.24 6 hrs 40 mins
37 GeForce RTX 2060 Mobile / Max-Q
TU106M [GeForce RTX 2060 Mobile / Max-Q] 4550
Nvidia TU106M 1,174,024 277,651 4.23 6 hrs 41 mins
38 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,167,180 276,841 4.22 6 hrs 42 mins
39 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,165,983 276,488 4.22 6 hrs 41 mins
40 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,162,939 276,118 4.21 6 hrs 42 mins
41 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 1,116,984 267,668 4.17 6 hrs 45 mins
42 GeForce GTX 1660 Mobile
TU116M [GeForce GTX 1660 Mobile]
Nvidia TU116M 1,050,802 264,101 3.98 6 hrs 2 mins
43 GeForce RTX 3050 Ti Mobile
GA107M [GeForce RTX 3050 Ti Mobile]
Nvidia GA107M 941,749 257,597 3.66 7 hrs 34 mins
44 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 924,599 255,780 3.61 7 hrs 38 mins
45 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 792,056 243,123 3.26 7 hrs 22 mins
46 P104-100
GP104 [P104-100]
Nvidia GP104 741,467 237,848 3.12 8 hrs 42 mins
47 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 675,994 230,838 2.93 8 hrs 12 mins
48 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 644,342 227,207 2.84 8 hrs 28 mins
49 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 595,394 221,144 2.69 9 hrs 55 mins
50 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 584,619 219,175 2.67 9 hrs 60 mins
51 P106-100
GP106 [P106-100]
Nvidia GP106 511,113 210,122 2.43 10 hrs 52 mins
52 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 454,408 196,642 2.31 10 hrs 23 mins
53 GeForce GTX 1650
TU117 [GeForce GTX 1650]
Nvidia TU117 432,355 189,562 2.28 11 hrs 31 mins
54 Quadro T1000 Mobile
TU117GLM [Quadro T1000 Mobile]
Nvidia TU117GLM 369,005 188,923 1.95 12 hrs 17 mins
55 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 346,511 184,535 1.88 13 hrs 47 mins
56 P106-090
GP106 [P106-090]
Nvidia GP106 290,181 174,199 1.67 14 hrs 24 mins
57 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 282,857 134,308 2.11 11 hrs 24 mins
58 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 248,875 164,348 1.51 16 hrs 51 mins
59 GeForce GTX 770
GK104 [GeForce GTX 770] 3213
Nvidia GK104 248,089 163,080 1.52 16 hrs 47 mins
60 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 241,446 162,155 1.49 16 hrs 7 mins
61 GeForce GTX 680
GK104 [GeForce GTX 680] 3250
Nvidia GK104 235,324 162,432 1.45 17 hrs 34 mins
62 GeForce GTX 660 Ti
GK104 [GeForce GTX 660 Ti] 2634
Nvidia GK104 186,318 148,276 1.26 19 hrs 6 mins
63 Radeon HD 7800
Pitcairn [Radeon HD 7800]
AMD Pitcairn 181,802 148,438 1.22 20 hrs 36 mins
64 GeForce GT 1030
GP108 [GeForce GT 1030] 1127
Nvidia GP108 97,882 88,109 1.11 22 hrs 36 mins
65 Quadro K1200
GM107GL [Quadro K1200]
Nvidia GM107GL 94,489 119,699 0.79 30 hrs 24 mins
66 GeForce GT 730
GK208B [GeForce GT 730] 692.7
Nvidia GK208B 34,379 85,704 0.40 60 hrs 50 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Monday, 23 May 2022 03:34:45

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