PROJECT #18913 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 17,235,619 326,597 52.77 0 hrs 27 mins
2 GeForce RTX 4080
AD103 [GeForce RTX 4080]
Nvidia AD103 13,726,474 307,491 44.64 0 hrs 32 mins
3 GeForce RTX 3090 Ti
GA102 [GeForce RTX 3090 Ti]
Nvidia GA102 10,828,993 284,995 38.00 0 hrs 38 mins
4 GeForce RTX 4070 Ti
AD104 [GeForce RTX 4070 Ti]
Nvidia AD104 9,693,641 272,166 35.62 0 hrs 40 mins
5 GeForce RTX 3090
GA102 [GeForce RTX 3090]
Nvidia GA102 8,419,584 260,569 32.31 0 hrs 45 mins
6 A40
GA102GL [A40]
Nvidia GA102GL 7,884,244 255,783 30.82 0 hrs 47 mins
7 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 7,804,794 256,075 30.48 0 hrs 47 mins
8 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 6,791,560 243,815 27.86 0 hrs 52 mins
9 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 6,499,405 237,346 27.38 0 hrs 53 mins
10 GeForce RTX 3080 12GB
GA102 [GeForce RTX 3080 12GB]
Nvidia GA102 6,430,274 238,460 26.97 0 hrs 53 mins
11 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 4,939,082 217,232 22.74 1 hrs 3 mins
12 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,265,815 210,602 20.26 1 hrs 11 mins
13 GeForce RTX 3070 Lite Hash Rate
GA104 [GeForce RTX 3070 Lite Hash Rate]
Nvidia GA104 3,858,826 202,495 19.06 1 hrs 16 mins
14 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 3,734,239 161,738 23.09 1 hrs 2 mins
15 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,732,906 195,749 19.07 1 hrs 16 mins
16 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,694,479 198,833 18.58 1 hrs 17 mins
17 GeForce RTX 3080 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3080 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 3,524,082 195,702 18.01 1 hrs 20 mins
18 Radeon RX 7900XT/XTX
Navi 31 [Radeon RX 7900XT/XTX]
AMD Navi 31 3,468,071 195,767 17.72 1 hrs 21 mins
19 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 3,283,618 191,089 17.18 1 hrs 24 mins
20 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 3,190,191 189,882 16.80 1 hrs 26 mins
21 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 3,189,229 189,162 16.86 1 hrs 25 mins
22 RTX A4000
GA104GL [RTX A4000]
Nvidia GA104GL 3,187,347 186,355 17.10 1 hrs 24 mins
23 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,985,994 185,270 16.12 1 hrs 29 mins
24 GeForce RTX 3060
GA104 [GeForce RTX 3060]
Nvidia GA104 2,689,108 179,098 15.01 2 hrs 36 mins
25 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,506,402 174,856 14.33 2 hrs 40 mins
26 Radeon RX 6800/6800XT/6900XT
Navi 21 [Radeon RX 6800/6800XT/6900XT]
AMD Navi 21 2,479,013 173,850 14.26 2 hrs 41 mins
27 GeForce RTX 3060 Lite Hash Rate
GA106 [GeForce RTX 3060 Lite Hash Rate]
Nvidia GA106 2,403,329 172,253 13.95 2 hrs 43 mins
28 GeForce RTX 3060
GA106 [GeForce RTX 3060]
Nvidia GA106 2,315,189 172,101 13.45 2 hrs 47 mins
29 GeForce RTX 3060 Mobile / Max-Q
GA106M [GeForce RTX 3060 Mobile / Max-Q]
Nvidia GA106M 2,070,372 161,560 12.81 2 hrs 52 mins
30 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,049,809 162,168 12.64 2 hrs 54 mins
31 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,938,186 160,457 12.08 2 hrs 59 mins
32 Geforce RTX 3050
GA106 [Geforce RTX 3050]
Nvidia GA106 1,611,359 153,405 10.50 2 hrs 17 mins
33 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,575,627 149,854 10.51 2 hrs 17 mins
34 Radeon VII
Vega 20 [Radeon VII]
AMD Vega 20 1,528,872 148,637 10.29 2 hrs 20 mins
35 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,436,157 144,976 9.91 2 hrs 25 mins
36 GeForce GTX 980 Ti
GM200 [GeForce GTX 980 Ti] 5632
Nvidia GM200 1,369,967 143,485 9.55 3 hrs 31 mins
37 Radeon RX 6700/6700XT/6800M
Navi 22 XT-XL [Radeon RX 6700/6700XT/6800M]
AMD Navi 22 XT-XL 1,251,057 137,938 9.07 3 hrs 39 mins
38 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,242,921 138,166 9.00 3 hrs 40 mins
39 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,176,138 136,218 8.63 3 hrs 47 mins
40 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,091,964 133,282 8.19 3 hrs 56 mins
41 Tesla M40
GM200GL [Tesla M40] 6844
Nvidia GM200GL 1,083,658 132,149 8.20 3 hrs 56 mins
42 GeForce GTX 980
GM204 [GeForce GTX 980] 4612
Nvidia GM204 868,444 122,439 7.09 3 hrs 23 mins
43 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 828,150 122,815 6.74 4 hrs 34 mins
44 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 606,561 111,807 5.43 4 hrs 25 mins
45 Quadro P2200
GP106GL [Quadro P2200]
Nvidia GP106GL 504,717 103,231 4.89 5 hrs 55 mins
46 GeForce GTX 1060 Mobile
GP106M [GeForce GTX 1060 Mobile]
Nvidia GP106M 491,985 101,506 4.85 5 hrs 57 mins
47 GeForce GTX 1060 3GB
GP106 [GeForce GTX 1060 3GB] 3935
Nvidia GP106 459,511 102,724 4.47 5 hrs 22 mins
48 RX 470/480/570/580/590
Ellesmere XT [RX 470/480/570/580/590]
Ellesmere XT 401,500 93,821 4.28 6 hrs 36 mins
49 GeForce GTX 1050 Ti
GP107 [GeForce GTX 1050 Ti] 2138
Nvidia GP107 336,587 89,776 3.75 6 hrs 24 mins
50 P106-090
GP106 [P106-090]
Nvidia GP106 286,634 85,060 3.37 7 hrs 7 mins
51 GeForce GTX 1050 LP
GP107 [GeForce GTX 1050 LP] 1862
Nvidia GP107 252,737 84,426 2.99 8 hrs 1 mins
52 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 240,630 80,446 2.99 8 hrs 1 mins
53 Quadro P1000
GP107GL [Quadro P1000]
Nvidia GP107GL 217,593 77,648 2.80 9 hrs 34 mins
54 RX Vega M GL
Polaris 22 XL [RX Vega M GL]
Polaris 22 XL 147,668 68,409 2.16 11 hrs 7 mins
55 GeForce MX450
TU117M [GeForce MX450]
Nvidia TU117M 111,322 49,795 2.24 11 hrs 44 mins
56 GeForce GTX 750 Ti
GM107 [GeForce GTX 750 Ti] 1389
Nvidia GM107 72,718 38,155 1.91 13 hrs 36 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