PROJECT #19305 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: 139,195

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 7,856,181 164,967 47.62 1 hrs 30 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 7,101,451 166,346 42.69 1 hrs 34 mins
3 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 6,501,401 184,311 35.27 1 hrs 41 mins
4 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 5,448,316 146,573 37.17 1 hrs 39 mins
5 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 5,343,757 144,090 37.09 1 hrs 39 mins
6 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 4,839,464 141,057 34.31 1 hrs 42 mins
7 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 3,937,341 151,356 26.01 1 hrs 55 mins
8 GeForce RTX 3070 Lite Hash Rate
GA104 [GeForce RTX 3070 Lite Hash Rate]
Nvidia GA104 3,917,220 129,119 30.34 1 hrs 47 mins
9 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,856,544 130,687 29.51 1 hrs 49 mins
10 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 3,807,678 129,050 29.51 1 hrs 49 mins
11 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,289,546 109,674 20.88 1 hrs 9 mins
12 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 2,242,201 110,700 20.25 1 hrs 11 mins
13 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,220,276 115,349 19.25 1 hrs 15 mins
14 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 1,805,165 101,170 17.84 1 hrs 21 mins
15 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,629,053 117,783 13.83 2 hrs 44 mins
16 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 1,624,192 116,613 13.93 2 hrs 43 mins
17 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,238,331 88,284 14.03 2 hrs 43 mins
18 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,227,678 89,146 13.77 2 hrs 45 mins
19 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 978,017 80,680 12.12 2 hrs 59 mins
20 Tesla M40
GM200GL [Tesla M40] 6844
Nvidia GM200GL 891,736 80,200 11.12 2 hrs 10 mins
21 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 562,265 66,251 8.49 3 hrs 50 mins
22 GeForce GTX 650 Ti
GK106 [GeForce GTX 650 Ti]
Nvidia GK106 30,624 26,020 1.18 20 hrs 24 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