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 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 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 7,167,292 504,160 14.22 2 hrs 41 mins
2 GeForce RTX 3090
GA102 [GeForce RTX 3090]
Nvidia GA102 7,166,826 501,825 14.28 2 hrs 41 mins
3 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 5,725,367 466,437 12.27 2 hrs 57 mins
4 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 5,192,910 443,317 11.71 2 hrs 3 mins
5 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,553,895 432,921 10.52 2 hrs 17 mins
6 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,325,985 426,590 10.14 2 hrs 22 mins
7 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 4,173,899 422,496 9.88 2 hrs 26 mins
8 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,755,763 408,049 9.20 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 3,366,758 393,779 8.55 3 hrs 48 mins
11 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 3,232,225 381,944 8.46 3 hrs 50 mins
12 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 3,191,332 386,848 8.25 3 hrs 55 mins
13 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 2,996,282 378,014 7.93 3 hrs 2 mins
14 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,910,056 374,814 7.76 3 hrs 5 mins
15 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,879,435 373,728 7.70 3 hrs 7 mins
16 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,806,013 369,685 7.59 3 hrs 10 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 2,724,705 367,050 7.42 3 hrs 14 mins
19 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,534,888 358,374 7.07 3 hrs 24 mins
20 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,465,771 354,098 6.96 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 3060
GA106 [GeForce RTX 3060]
Nvidia GA106 2,217,199 342,736 6.47 4 hrs 43 mins
23 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,206,729 342,210 6.45 4 hrs 43 mins
24 GeForce RTX 3060 Lite Hash Rate
GA106 [GeForce RTX 3060 Lite Hash Rate]
Nvidia GA106 2,036,591 332,764 6.12 4 hrs 55 mins
25 Radeon RX 6900 XT
Navi 21 [Radeon RX 6900 XT]
AMD Navi 21 2,009,893 316,919 6.34 4 hrs 47 mins
26 GeForce RTX 3060
GA104 [GeForce RTX 3060]
Nvidia GA104 1,931,388 327,202 5.90 4 hrs 4 mins
27 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,788,388 318,097 5.62 4 hrs 16 mins
28 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 1,744,815 316,810 5.51 4 hrs 21 mins
29 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,705,494 313,887 5.43 4 hrs 25 mins
30 GeForce RTX 3070 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 1,536,598 302,989 5.07 5 hrs 44 mins
31 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 1,430,813 295,491 4.84 5 hrs 57 mins
32 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,366,170 291,346 4.69 5 hrs 7 mins
33 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,302,512 285,973 4.55 5 hrs 16 mins
34 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,232,544 281,964 4.37 5 hrs 29 mins
35 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,179,274 276,986 4.26 6 hrs 38 mins
36 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 1,177,964 276,881 4.25 6 hrs 38 mins
37 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,162,979 276,178 4.21 6 hrs 42 mins
38 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,056,617 267,511 3.95 6 hrs 5 mins
39 GeForce GTX 1660 Mobile
TU116M [GeForce GTX 1660 Mobile]
Nvidia TU116M 1,018,462 259,554 3.92 6 hrs 7 mins
40 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 951,023 258,073 3.69 7 hrs 31 mins
41 GeForce RTX 3050 Ti Mobile
GA107M [GeForce RTX 3050 Ti Mobile]
Nvidia GA107M 941,749 257,597 3.66 7 hrs 34 mins
42 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 795,035 243,905 3.26 7 hrs 22 mins
43 P104-100
GP104 [P104-100]
Nvidia GP104 741,467 237,848 3.12 8 hrs 42 mins
44 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 675,994 230,838 2.93 8 hrs 12 mins
45 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 638,408 226,368 2.82 9 hrs 31 mins
46 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 595,394 221,144 2.69 9 hrs 55 mins
47 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 584,619 219,175 2.67 9 hrs 60 mins
48 P106-100
GP106 [P106-100]
Nvidia GP106 511,113 210,122 2.43 10 hrs 52 mins
49 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 466,900 196,626 2.37 10 hrs 6 mins
50 GeForce GTX 1650
TU117 [GeForce GTX 1650]
Nvidia TU117 422,255 185,501 2.28 11 hrs 33 mins
51 Quadro T1000 Mobile
TU117GLM [Quadro T1000 Mobile]
Nvidia TU117GLM 369,005 188,923 1.95 12 hrs 17 mins
52 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 301,278 176,688 1.71 14 hrs 5 mins
53 P106-090
GP106 [P106-090]
Nvidia GP106 290,181 174,199 1.67 14 hrs 24 mins
54 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
55 GeForce GTX 770
GK104 [GeForce GTX 770] 3213
Nvidia GK104 270,013 166,080 1.63 15 hrs 46 mins
56 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 249,175 164,402 1.52 16 hrs 50 mins
57 GeForce GTX 680
GK104 [GeForce GTX 680] 3250
Nvidia GK104 235,324 162,432 1.45 17 hrs 34 mins
58 Radeon HD 7800
Pitcairn [Radeon HD 7800]
AMD Pitcairn 181,802 148,438 1.22 20 hrs 36 mins
59 GeForce GT 1030
GP108 [GeForce GT 1030] 1127
Nvidia GP108 97,882 88,109 1.11 22 hrs 36 mins
60 Quadro K1200
GM107GL [Quadro K1200]
Nvidia GM107GL 94,489 119,699 0.79 30 hrs 24 mins
61 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 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