PROJECT #19308 RESEARCH FOR UNSPECIFIED
FOLDING PERFORMANCE PROFILE

PROJECT SUMMARY

Atomistic insights into AAA+ protein superfamily ATPases Associated with diverse cellular Activities (AAA+) comprise a superfamily of proteins that perform a large variety of functions essential to cell physiology, including control of protein homeostasis, DNA replication, recombination, chromatin remodeling, ribosomal RNA processing, molecular targeting, organelle biogenesis, and membrane fusion.

Members of this superfamily are defined by the presence of what is termed the AAA+ domain containing the canonical Walker A and B motifs required for ATP binding and hydrolysis.

Typically, genomes encode approximately ten to several hundred AAA+ family members, each of which is thought to be adapted to specific functional niches that necessitate precise mechanisms of substrate recognition and processing.

The striking adaptive radiation of AAA+ proteins to operate in diverse settings illustrates the versatile utility of the AAA+ domain.

AAA+ proteins typically form hexameric complexes and act as motors to remodel other proteins, DNA/RNA, or multicomponent complexes.

Indeed, many chaperones and ATP-dependent proteases are or have subunits that belong to this superfamily.

Rubisco activase (Rca) belongs to the AAA+ superfamily of proteins and it hydrolyzes ATP to ADP.

The complementarity of nucleotide-binding sites between AAA+ interfaces, the mechanism of ATP hydrolysis and the conformational changes activating or deactivating their ATP-binding pocket ensure a functional cycle that creates mechanical force to promote remodeling of substrates.

In this study, we will investigated the ADP/ATP and Mg2+ ion binding mechanism in Rca monomer and homodimers using extensive longtime scale simulations.

We will also try to find the binding pathway for ADP and ATP.

Simulations will also helps to predicts the crucial residues that involved in this binding process..

PROJECT INFO

Manager(s): Rabindranath Paul

Institution: University of Illinois at Urbana-Champaign

PROJECT WORK UNIT SUMMARY

Atoms: 181,714

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Sunday, 02 October 2022 12:16:25

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 8,901,370 267,147 33.32 1 hrs 43 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 7,970,098 256,255 31.10 1 hrs 46 mins
3 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 6,873,621 244,196 28.15 1 hrs 51 mins
4 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 5,713,914 228,727 24.98 1 hrs 58 mins
5 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 5,429,523 226,325 23.99 1 hrs 0 mins
6 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 5,067,885 222,577 22.77 1 hrs 3 mins
7 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 5,055,596 221,091 22.87 1 hrs 3 mins
8 GeForce RTX 3070 Lite Hash Rate
GA104 [GeForce RTX 3070 Lite Hash Rate]
Nvidia GA104 4,504,146 213,394 21.11 1 hrs 8 mins
9 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 3,621,903 196,699 18.41 1 hrs 18 mins
10 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 2,622,315 175,995 14.90 2 hrs 37 mins
11 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 2,133,293 103,201 20.67 1 hrs 10 mins
12 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 1,944,456 160,908 12.08 2 hrs 59 mins
13 Radeon RX 6700/6700 XT/6750 XT / 6800M
Navi 22 [Radeon RX 6700/6700 XT/6750 XT / 6800M]
AMD Navi 22 1,875,984 159,267 11.78 2 hrs 2 mins
14 Geforce RTX 3050
GA106 [Geforce RTX 3050]
Nvidia GA106 1,082,122 132,185 8.19 3 hrs 56 mins
15 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,076,901 120,084 8.97 3 hrs 41 mins
16 Radeon Pro W5700
Navi 10 [Radeon Pro W5700]
AMD Navi 10 1,019,989 121,351 8.41 3 hrs 51 mins
17 Tesla M40
GM200GL [Tesla M40] 6844
Nvidia GM200GL 989,399 128,065 7.73 3 hrs 6 mins
18 GeForce GTX 980
GM204 [GeForce GTX 980] 4612
Nvidia GM204 912,831 124,790 7.31 3 hrs 17 mins
19 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 593,438 111,811 5.31 5 hrs 31 mins
20 Radeon RX Vega M XL
[Radeon RX Vega M XL]
AMD Vega 189,629 74,042 2.56 9 hrs 22 mins
21 GeForce GT 1030
GP108 [GeForce GT 1030]
Nvidia GP108 124,503 64,329 1.94 12 hrs 24 mins
22 Quadro M2000
GM206GL [Quadro M2000]
Nvidia GM206GL 115,510 73,657 1.57 15 hrs 18 mins
23 Radeon R9 200 Series
Hawaii [Radeon R9 200 Series]
AMD Hawaii 111,572 62,660 1.78 13 hrs 29 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Sunday, 02 October 2022 12:16:25

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