PROJECT #19304 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: 125,890

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Tuesday, 16 August 2022 22:52:17

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 7,400,009 140,659 52.61 0 hrs 27 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 6,701,003 136,359 49.14 0 hrs 29 mins
3 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 6,584,829 136,177 48.35 0 hrs 30 mins
4 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 5,128,738 124,292 41.26 1 hrs 35 mins
5 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 4,725,922 120,983 39.06 1 hrs 37 mins
6 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 4,541,205 121,331 37.43 1 hrs 38 mins
7 GeForce RTX 3070 Lite Hash Rate
GA104 [GeForce RTX 3070 Lite Hash Rate]
Nvidia GA104 4,325,969 119,121 36.32 1 hrs 40 mins
8 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 3,154,175 106,280 29.68 1 hrs 49 mins
9 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 2,020,532 90,228 22.39 1 hrs 4 mins
10 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,914,126 89,891 21.29 1 hrs 8 mins
11 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,777,618 111,662 15.92 2 hrs 30 mins
12 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 1,707,582 86,300 19.79 1 hrs 13 mins
13 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,177,305 76,372 15.42 2 hrs 33 mins
14 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 931,348 69,132 13.47 2 hrs 47 mins
15 Radeon Pro W5700
Navi 10 [Radeon Pro W5700]
AMD Navi 10 911,894 64,711 14.09 2 hrs 42 mins
16 GeForce GTX 980
GM204 [GeForce GTX 980] 4612
Nvidia GM204 558,198 59,430 9.39 3 hrs 33 mins
17 Radeon RX 6700/6700 XT/6750 XT / 6800M
Navi 22 [Radeon RX 6700/6700 XT/6750 XT / 6800M]
AMD Navi 22 459,654 54,425 8.45 3 hrs 51 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Tuesday, 16 August 2022 22:52:17

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