PROJECT #18909 RESEARCH FOR CANCER
FOLDING PERFORMANCE PROFILE

PROJECT SUMMARY

Lasso peptides are ribosomally synthesized and post-translationally modified peptide (RiPP) natural products that display a unique lariat-like, threaded conformation.

Some lasso peptides have been shown to bind human cell-surface receptors and exhibit anticancer properties, while others display antibacterial or antiviral bioactivities.

So studies on the lasso peptide synthesis will significantly facilitate the discovery and application of new drugs. Specifically, previous studies show that the unique lasso topology is formed by a macrolactam ring that is threaded by the C-terminal tail.

While not proven yet, the threading cannot occur after the ring formation.

The general proposed mechanism is that lasso peptide first form a prefolded lariat-like structure, then lasso peptide cyclase catalyzes the ring closure achieved by an isopeptide bond formed between the N-terminal α-amino group of a glycine, alanine, serine, or cysteine and the carboxylic acid side chain of an aspartate or glutamate, which can be located at positions 7, 8, or 9 of the amino acid sequence.

However, the detailed function of lasso peptide cyclase and the molecular mechanism of the whole lasso peptide cyclization process are not clear.

Therefore, in this study, we will perform Molecular Dynamic simulations for the system of lasso peptide with cyclase enzyme to explore lasso peptide cyclization mechanism..

PROJECT INFO

Manager(s): Song Yin

Institution: University of Illinois Urbana-Champaign

Project URL: shuklagroup.org/

PROJECT WORK UNIT SUMMARY

Atoms: 120,749

Core: 0x22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Saturday, 28 January 2023 00:14:35

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 4090
AD102 [GeForce RTX 4090]
Nvidia AD102 15,701,955 308,309 50.93 0 hrs 28 mins
2 GeForce RTX 4080
AD103 [GeForce RTX 4080]
Nvidia AD103 13,289,112 303,878 43.73 0 hrs 33 mins
3 GeForce RTX 3090 Ti
GA102 [GeForce RTX 3090 Ti]
Nvidia GA102 10,298,862 279,531 36.84 0 hrs 39 mins
4 GeForce RTX 3090
GA102 [GeForce RTX 3090]
Nvidia GA102 8,580,832 263,012 32.63 0 hrs 44 mins
5 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 7,320,547 248,916 29.41 0 hrs 49 mins
6 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 6,584,182 240,443 27.38 0 hrs 53 mins
7 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 5,964,678 230,500 25.88 0 hrs 56 mins
8 RTX A5000
GA102GL [RTX A5000]
Nvidia GA102GL 5,719,177 229,698 24.90 0 hrs 58 mins
9 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 5,160,131 222,643 23.18 1 hrs 2 mins
10 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 5,066,236 222,270 22.79 1 hrs 3 mins
11 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 5,060,316 221,437 22.85 1 hrs 3 mins
12 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 4,151,076 206,845 20.07 1 hrs 12 mins
13 GeForce RTX 3070 Lite Hash Rate
GA104 [GeForce RTX 3070 Lite Hash Rate]
Nvidia GA104 3,452,989 194,227 17.78 1 hrs 21 mins
14 Radeon RX 7900XT/XTX
Navi 31 [Radeon RX 7900XT/XTX]
AMD Navi 31 3,383,246 192,422 17.58 1 hrs 22 mins
15 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 3,176,155 187,212 16.97 1 hrs 25 mins
16 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 3,063,965 186,055 16.47 1 hrs 27 mins
17 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 3,059,263 188,464 16.23 1 hrs 29 mins
18 Radeon RX 6800/6800XT/6900XT
Navi 21 [Radeon RX 6800/6800XT/6900XT]
AMD Navi 21 2,683,031 176,861 15.17 2 hrs 35 mins
19 GeForce RTX 3060 Lite Hash Rate
GA106 [GeForce RTX 3060 Lite Hash Rate]
Nvidia GA106 2,605,401 178,023 14.64 2 hrs 38 mins
20 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 2,545,369 175,506 14.50 2 hrs 39 mins
21 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,335,217 168,878 13.83 2 hrs 44 mins
22 RTX A4000
GA104GL [RTX A4000]
Nvidia GA104GL 2,270,848 173,683 13.07 2 hrs 50 mins
23 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,198,467 168,376 13.06 2 hrs 50 mins
24 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,481,122 145,944 10.15 2 hrs 22 mins
25 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,408,078 144,442 9.75 2 hrs 28 mins
26 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,287,486 139,660 9.22 3 hrs 36 mins
27 Radeon RX 6700/6700XT/6800M
Navi 22 XT-XL [Radeon RX 6700/6700XT/6800M]
AMD Navi 22 XT-XL 1,225,876 137,814 8.90 3 hrs 42 mins
28 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,114,711 131,627 8.47 3 hrs 50 mins
29 Tesla M40
GM200GL [Tesla M40] 6844
Nvidia GM200GL 1,083,111 133,071 8.14 3 hrs 57 mins
30 GeForce GTX 980
GM204 [GeForce GTX 980] 4612
Nvidia GM204 810,146 120,315 6.73 4 hrs 34 mins
31 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 698,383 113,956 6.13 4 hrs 55 mins
32 GeForce GTX 1060 Mobile
GP106M [GeForce GTX 1060 Mobile]
Nvidia GP106M 480,464 100,644 4.77 5 hrs 2 mins
33 RX 470/480/570/580/590
Ellesmere XT [RX 470/480/570/580/590]
Ellesmere XT 356,901 91,108 3.92 6 hrs 8 mins
34 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 257,146 81,700 3.15 8 hrs 38 mins
35 RX 5500/5500M/Pro 5500M
Navi 14 [RX 5500/5500M/Pro 5500M]
Navi 14 88,700 57,735 1.54 16 hrs 37 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Saturday, 28 January 2023 00:14:35

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