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PROJECT #16926 RESEARCH FOR ALANINE
FOLDING PERFORMANCE PROFILE

PROJECT SUMMARY

Project 16926 simulates a very small model system: alanine tetrapeptide.

Alanine is one of twenty amino acids that make up all proteins.

Although polyalanine is predominantly in the alpha-helical conformation in solution, there are many competing conformations that the peptide chain must search before folding. This project aims to statistically sample folding trajectories of alanine tetrapeptide, to help us develop new ways of performing adaptive sampling simulations that can accelerate the conformational search.

Although this is a simple model system, we hope that the insights obtained will help us develop new and improved ways of performing adaptive sampling of protein-ligand interactions, to better screen potential therapeutics.
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PROJECT INFO

Manager(s): Prof. Vincent Voelz

Institution: Temple University

PROJECT WORK UNIT SUMMARY

Atoms: 1,314

Core: GRO_A8

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Friday, 27 May 2022 17:25:55

Rank
Project 		Model Name
Folding@Home Identifier 		Make
Brand 		GPU
Model 		PPD
Average 		Points WU
Average 		WUs Day
Average 		WU Time
Average

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Friday, 27 May 2022 17:25:55

Rank
Project 		CPU Model Logical
Processors (LP) 		PPD-PLP
AVG PPD per 1 LP 		ALL LP-PPD
(Estimated) 		Make
1 RYZEN THREADRIPPER 3960X 24-CORE 48 11,784 565,632 AMD
2 CORE I9-9900K CPU @ 3.60GHZ 16 31,891 510,256 Intel
3 RYZEN THREADRIPPER 2950X 16-CORE 32 12,475 399,200 AMD
4 RYZEN 9 3900XT 12-CORE 24 15,687 376,488 AMD
5 RYZEN 7 3700X 8-CORE 16 20,401 326,416 AMD
6 CORE I9-10900X CPU @ 3.70GHZ 20 16,175 323,500 Intel
7 RYZEN 9 3900X 12-CORE 24 11,283 270,792 AMD
8 CORE I7-5960X CPU @ 3.00GHZ 16 14,990 239,840 Intel
9 RYZEN 7 2700X EIGHT-CORE 16 13,229 211,664 AMD
10 CORE I7-9700 CPU @ 3.00GHZ 8 26,126 209,008 Intel
11 CORE I5-10400F CPU @ 2.90GHZ 12 13,995 167,940 Intel
12 RYZEN 5 3600 6-CORE 12 13,538 162,456 AMD
13 RYZEN 5 3600X 6-CORE 12 13,436 161,232 AMD
14 RYZEN 5 3500 6-CORE 6 25,529 153,174 AMD
15 RYZEN 7 3800X 8-CORE 16 9,505 152,080 AMD
16 CORE I7-8700K CPU @ 3.70GHZ 12 12,342 148,104 Intel
17 CORE I5-9400 CPU @ 2.90GHZ 6 21,457 128,742 Intel
18 CORE I3-10100 CPU @ 3.60GHZ 8 15,817 126,536 Intel
19 CORE I7-4790K CPU @ 4.00GHZ 8 15,667 125,336 Intel
20 XEON CPU X5570 @ 2.93GHZ 16 7,464 119,424 Intel
21 CORE I5-2500K CPU @ 3.30GHZ 4 28,789 115,156 Intel
22 CORE I5-8400 CPU @ 2.80GHZ 6 18,982 113,892 Intel
23 RYZEN 3 3100 4-CORE 8 13,862 110,896 AMD
24 CORE I7-3770 CPU @ 3.40GHZ 8 13,275 106,200 Intel
25 CORE2 DUO CPU T7700 @ 2.40GHZ 12 7,816 93,792 Intel
26 RYZEN THREADRIPPER 1920X 12-CORE 24 3,737 89,688 AMD
27 CORE I7-7700K CPU @ 4.20GHZ 8 11,033 88,264 Intel
28 RYZEN 7 1800X EIGHT-CORE 16 5,300 84,800 AMD
29 RYZEN 7 1700 EIGHT-CORE 16 5,266 84,256 AMD
30 RYZEN 5 2600X SIX-CORE 12 6,746 80,952 AMD
31 RYZEN 5 1600X SIX-CORE 12 6,305 75,660 AMD
32 CORE I5-7600 CPU @ 3.50GHZ 4 18,255 73,020 Intel
33 RYZEN 5 2600 SIX-CORE 12 5,797 69,564 AMD
34 XEON CPU E5-2630 0 @ 2.30GHZ 24 2,760 66,240 Intel
35 CORE I7-9750H CPU @ 2.60GHZ 12 4,425 53,100 Intel
36 CORE I7-6700K CPU @ 4.00GHZ 8 5,355 42,840 Intel
37 CORE I5-4690K CPU @ 3.50GHZ 4 10,020 40,080 Intel
38 CORE I7-8705G CPU @ 3.10GHZ 8 4,314 34,512 Intel
39 CORE I5-4460 CPU @ 3.20GHZ 4 7,852 31,408 Intel
40 CORE I7-6700HQ CPU @ 2.60GHZ 8 3,840 30,720 Intel
41 CORE I5-4300U CPU @ 1.90GHZ 4 7,538 30,152 Intel
42 CORE I5-6200U CPU @ 2.30GHZ 4 5,576 22,304 Intel
43 XEON CPU L5420 @ 2.50GHZ 4 3,439 13,756 Intel
44 CORE I5-7300HQ CPU @ 2.50GHZ 4 2,163 8,652 Intel
45 CORE I3-6006U CPU @ 2.00GHZ 4 1,992 7,968 Intel