PROJECT #17904 RESEARCH FOR CANCER
FOLDING PERFORMANCE PROFILE
PROJECT SUMMARY
Understanding the molecular basis of substrate specificity for a given protein family is fundamental for the biophysical study of any metabolic process and related molecule design.
In this project, we model the apo and holo dynamics of acyltransferase enzymes demonstrating variable substrate specificity and organismal evolutionary stage.
Human acyltransferase activity is generally implicated in gene expression and cancer development.
Averaging ~18-25 sequence identity within their family, our selected acyltransferase enzymes maintain a remarkably conserved topology, where the front and back domains of these proteins form a doughnut-like shape bridged by an ~50 residue intrinsically disordered loop (IDL).
Sequence-based analyses suggest that some correlation exists between the extent of disorder in this IDL region and the extent of demonstrated substrate permissiveness by the respective enzyme.
By comparing loop dynamics in response to substrate recognition between the different modeled proteins, our goal is to offer fundamental insights into how soluble proteins can evolve substrate specificity without converging to a conserved amino acid sequence..
PROJECT INFO
Manager(s): Austin Weigle
Institution: University of Illinois at Urbana-Champaign
Project URL: https://shuklagroup.org/
PROJECT WORK UNIT SUMMARY
Atoms: 163,201
Core: OPENMM_22
Status: Public
PROJECT FOLDING PPD AVERAGES BY GPU
PPDDB data as of Tuesday, 07 February 2023 06:14:51
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 | 8,804,182 | 207,412 | 42.45 | 0 hrs 34 mins |
2 | GeForce RTX 3080 Lite Hash Rate GA102 [GeForce RTX 3080 Lite Hash Rate] |
Nvidia | GA102 | 6,809,267 | 190,369 | 35.77 | 0 hrs 40 mins |
3 | GeForce RTX 3080 Ti GA102 [GeForce RTX 3080 Ti] |
Nvidia | GA102 | 6,785,021 | 188,976 | 35.90 | 0 hrs 40 mins |
4 | GeForce RTX 3080 GA102 [GeForce RTX 3080] |
Nvidia | GA102 | 5,997,509 | 180,481 | 33.23 | 0 hrs 43 mins |
5 | GeForce RTX 2080 Ti TU102 [GeForce RTX 2080 Ti] M 13448 |
Nvidia | TU102 | 5,068,451 | 170,758 | 29.68 | 0 hrs 49 mins |
6 | GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448 |
Nvidia | TU102 | 5,002,130 | 171,329 | 29.20 | 0 hrs 49 mins |
7 | RTX A5000 GA102GL [RTX A5000] |
Nvidia | GA102GL | 4,859,958 | 168,614 | 28.82 | 0 hrs 50 mins |
8 | GeForce RTX 3070 Ti GA104 [GeForce RTX 3070 Ti] |
Nvidia | GA104 | 4,712,463 | 165,432 | 28.49 | 0 hrs 51 mins |
9 | GeForce RTX 3070 GA104 [GeForce RTX 3070] |
Nvidia | GA104 | 4,044,090 | 159,275 | 25.39 | 0 hrs 57 mins |
10 | GeForce RTX 2060 TU104 [GeForce RTX 2060] |
Nvidia | TU104 | 3,721,010 | 253,755 | 14.66 | 2 hrs 38 mins |
11 | GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218 |
Nvidia | TU104 | 3,217,739 | 147,078 | 21.88 | 1 hrs 6 mins |
12 | GeForce RTX 3060 Ti Lite Hash Rate GA104 [GeForce RTX 3060 Ti Lite Hash Rate] |
Nvidia | GA104 | 3,214,234 | 148,743 | 21.61 | 1 hrs 7 mins |
13 | GeForce RTX 2080 Super TU104 [GeForce RTX 2080 SUPER] |
Nvidia | TU104 | 3,132,384 | 147,033 | 21.30 | 1 hrs 8 mins |
14 | GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380 |
Nvidia | GP102 | 2,421,036 | 134,502 | 18.00 | 1 hrs 20 mins |
15 | GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER] |
Nvidia | TU106 | 2,408,365 | 135,173 | 17.82 | 1 hrs 21 mins |
16 | GeForce RTX 3080 Mobile / Max-Q 8GB/16GB GA104M [GeForce RTX 3080 Mobile / Max-Q 8GB/16GB] |
Nvidia | GA104M | 2,171,741 | 128,872 | 16.85 | 1 hrs 25 mins |
17 | GeForce RTX 3060 Lite Hash Rate GA106 [GeForce RTX 3060 Lite Hash Rate] |
Nvidia | GA106 | 1,749,746 | 120,041 | 14.58 | 2 hrs 39 mins |
18 | Radeon RX 6800/6800 XT / 6900 XT Navi 21 [Radeon RX 6800/6800 XT / 6900 XT] |
AMD | Navi 21 | 1,742,488 | 118,211 | 14.74 | 2 hrs 38 mins |
19 | Radeon RX 6900 XT Navi 21 [Radeon RX 6900 XT] |
AMD | Navi 21 | 1,550,633 | 116,488 | 13.31 | 2 hrs 48 mins |
20 | GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463 |
Nvidia | GP104 | 1,285,223 | 107,032 | 12.01 | 2 hrs 60 mins |
21 | Radeon RX 5600 OEM/5600 XT/5700/5700 XT Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT] |
AMD | Navi 10 | 1,273,575 | 108,714 | 11.71 | 2 hrs 3 mins |
22 | GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873 |
Nvidia | GP104 | 1,210,604 | 107,592 | 11.25 | 2 hrs 8 mins |
23 | GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER] |
Nvidia | TU116 | 1,147,740 | 104,923 | 10.94 | 2 hrs 12 mins |
24 | Tesla M40 GM200GL [Tesla M40] 6844 |
Nvidia | GM200GL | 1,138,607 | 104,102 | 10.94 | 2 hrs 12 mins |
25 | Geforce RTX 3050 GA106 [Geforce RTX 3050] |
Nvidia | GA106 | 1,008,693 | 100,402 | 10.05 | 2 hrs 23 mins |
26 | Radeon RX Vega 56/64 Vega 10 XL/XT [Radeon RX Vega 56/64] |
AMD | Vega 10 XL/XT | 988,768 | 99,498 | 9.94 | 2 hrs 25 mins |
27 | Radeon Pro W5700 Navi 10 [Radeon Pro W5700] |
AMD | Navi 10 | 931,153 | 92,070 | 10.11 | 2 hrs 22 mins |
28 | GeForce GTX 980 GM204 [GeForce GTX 980] 4612 |
Nvidia | GM204 | 759,823 | 91,520 | 8.30 | 3 hrs 53 mins |
29 | GeForce GTX 1060 6GB GP106 [GeForce GTX 1060 6GB] 4372 |
Nvidia | GP106 | 682,853 | 88,550 | 7.71 | 3 hrs 7 mins |
30 | GeForce GTX 970 GM204 [GeForce GTX 970] 3494 |
Nvidia | GM204 | 640,872 | 86,904 | 7.37 | 3 hrs 15 mins |
31 | Radeon RX 470/480/570/580/590 Ellesmere XT [Radeon RX 470/480/570/580/590] |
AMD | Ellesmere XT | 406,424 | 74,195 | 5.48 | 4 hrs 23 mins |
32 | Radeon RX 6600/6600 XT/6600M Navi 23 [Radeon RX 6600/6600 XT/6600M] |
AMD | Navi 23 | 393,013 | 73,009 | 5.38 | 4 hrs 28 mins |
33 | P106-090 GP106 [P106-090] |
Nvidia | GP106 | 385,104 | 73,462 | 5.24 | 5 hrs 35 mins |
34 | GeForce GTX 1050 Ti GP107 [GeForce GTX 1050 Ti] 2138 |
Nvidia | GP107 | 357,064 | 71,286 | 5.01 | 5 hrs 47 mins |
35 | GeForce GTX 1650 Mobile / Max-Q TU117M [GeForce GTX 1650 Mobile / Max-Q] |
Nvidia | TU117M | 201,894 | 48,500 | 4.16 | 6 hrs 46 mins |
36 | GeForce GTX 950M GM107 [GeForce GTX 950M] 1439 |
Nvidia | GM107 | 107,039 | 47,922 | 2.23 | 11 hrs 45 mins |
37 | Quadro K1200 GM107GL [Quadro K1200] |
Nvidia | GM107GL | 58,133 | 38,920 | 1.49 | 16 hrs 4 mins |
PROJECT FOLDING PPD AVERAGES BY CPU BETA
PPDDB data as of Tuesday, 07 February 2023 06:14:51
Rank Project |
CPU Model |
Logical Processors (LP) |
PPD-PLP AVG PPD per 1 LP |
ALL LP-PPD (Estimated) |
Make |
---|