PROJECT #17909 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: 59,579
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 2060 TU104 [GeForce RTX 2060] |
Nvidia | TU104 | 8,579,622 | 176,883 | 48.50 | 0 hrs 30 mins |
2 | GeForce RTX 3090 GA102 [GeForce RTX 3090] |
Nvidia | GA102 | 6,490,090 | 60,783 | 106.77 | 0 hrs 13 mins |
3 | GeForce RTX 3080 Lite Hash Rate GA102 [GeForce RTX 3080 Lite Hash Rate] |
Nvidia | GA102 | 6,211,388 | 57,513 | 108.00 | 0 hrs 13 mins |
4 | GeForce RTX 3080 Ti GA102 [GeForce RTX 3080 Ti] |
Nvidia | GA102 | 5,224,676 | 56,617 | 92.28 | 0 hrs 16 mins |
5 | GeForce RTX 2080 Ti Rev. A TU102 [GeForce RTX 2080 Ti Rev. A] M 13448 |
Nvidia | TU102 | 4,407,966 | 53,941 | 81.72 | 0 hrs 18 mins |
6 | GeForce RTX 3070 Ti GA104 [GeForce RTX 3070 Ti] |
Nvidia | GA104 | 4,101,823 | 52,152 | 78.65 | 0 hrs 18 mins |
7 | GeForce RTX 3070 GA104 [GeForce RTX 3070] |
Nvidia | GA104 | 4,035,382 | 52,159 | 77.37 | 0 hrs 19 mins |
8 | RTX A5000 GA102GL [RTX A5000] |
Nvidia | GA102GL | 3,698,888 | 51,373 | 72.00 | 0 hrs 20 mins |
9 | GeForce RTX 3060 Ti Lite Hash Rate GA104 [GeForce RTX 3060 Ti Lite Hash Rate] |
Nvidia | GA104 | 2,997,166 | 46,743 | 64.12 | 0 hrs 22 mins |
10 | GeForce RTX 2070 SUPER TU104 [GeForce RTX 2070 SUPER] 8218 |
Nvidia | TU104 | 2,397,925 | 43,415 | 55.23 | 0 hrs 26 mins |
11 | GeForce GTX 1080 Ti GP102 [GeForce GTX 1080 Ti] 11380 |
Nvidia | GP102 | 2,119,785 | 41,346 | 51.27 | 0 hrs 28 mins |
12 | GeForce RTX 2060 Super TU106 [GeForce RTX 2060 SUPER] |
Nvidia | TU106 | 1,995,037 | 41,344 | 48.25 | 0 hrs 30 mins |
13 | GeForce RTX 3080 Mobile / Max-Q 8GB/16GB GA104M [GeForce RTX 3080 Mobile / Max-Q 8GB/16GB] |
Nvidia | GA104M | 1,860,657 | 40,917 | 45.47 | 0 hrs 32 mins |
14 | GeForce RTX 3060 Lite Hash Rate GA106 [GeForce RTX 3060 Lite Hash Rate] |
Nvidia | GA106 | 1,824,857 | 40,408 | 45.16 | 0 hrs 32 mins |
15 | GeForce GTX 1080 GP104 [GeForce GTX 1080] 8873 |
Nvidia | GP104 | 1,257,812 | 34,405 | 36.56 | 0 hrs 39 mins |
16 | GeForce GTX 1660 SUPER TU116 [GeForce GTX 1660 SUPER] |
Nvidia | TU116 | 1,234,849 | 33,374 | 37.00 | 0 hrs 39 mins |
17 | GeForce GTX 1070 GP104 [GeForce GTX 1070] 6463 |
Nvidia | GP104 | 1,142,536 | 34,121 | 33.48 | 0 hrs 43 mins |
18 | Tesla M40 GM200GL [Tesla M40] 6844 |
Nvidia | GM200GL | 826,510 | 30,611 | 27.00 | 0 hrs 53 mins |
19 | GeForce GTX 980 GM204 [GeForce GTX 980] 4612 |
Nvidia | GM204 | 788,556 | 30,118 | 26.18 | 0 hrs 55 mins |
20 | GeForce GTX 970 GM204 [GeForce GTX 970] 3494 |
Nvidia | GM204 | 611,684 | 28,318 | 21.60 | 1 hrs 7 mins |
21 | GeForce GTX 1060 3GB GP106 [GeForce GTX 1060 3GB] 3935 |
Nvidia | GP106 | 553,876 | 26,924 | 20.57 | 1 hrs 10 mins |
22 | P106-090 GP106 [P106-090] |
Nvidia | GP106 | 330,549 | 22,744 | 14.53 | 2 hrs 39 mins |
23 | GeForce GTX 960 GM206 [GeForce GTX 960] 2308 |
Nvidia | GM206 | 287,607 | 21,663 | 13.28 | 2 hrs 48 mins |
24 | Quadro K620 GM107GL [Quadro K620] |
Nvidia | GM107GL | 53,337 | 12,351 | 4.32 | 6 hrs 33 mins |
25 | GTX 650 Ti Boost GK106 [GTX 650 Ti Boost] |
Nvidia | GK106 | 41,654 | 11,396 | 3.66 | 7 hrs 34 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 |
---|