PROJECT #16457 RESEARCH FOR Î’-LACTMASES
FOLDING PERFORMANCE PROFILE

PROJECT SUMMARY

This project studies the E240A mutant of Tem-1 β-Lactmase

β-Lactmases are enzymes which break down penicillin-like antibiotics. This is the most common method by which bacteria become resistant to such antibiotics. This project is simulating the most probable common ancestor (dating back to around 2 billion years ago) of modern day Gram Negative beta-lactamases. We hope to understand the funtional significance of various cryptic pockets found in these enzymes by comparing these results to simulations of modern beta-lactamases. Finding such functional pockets could enable us to target these enzymes with drugs that might combat this form of antibiotic resistance.

PROJECT INFO

Manager(s): Sukrit Singh

Institution: Washington University in St. Louis

PROJECT WORK UNIT SUMMARY

Atoms: 33,227

Core: GRO_A7

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Friday, 03 December 2021 04:36:11

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PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Friday, 03 December 2021 04:36:11

Rank
Project
CPU Model Logical
Processors (LP)
PPD-PLP
AVG PPD per 1 LP
ALL LP-PPD
(Estimated)
Make
1 RYZEN 9 3950X 16-CORE 32 13,130 420,160 AMD
2 RYZEN 9 3900X 12-CORE 24 14,063 337,512 AMD
3 RYZEN THREADRIPPER 1920X 12-CORE 24 7,604 182,496 AMD
4 RYZEN 7 2700X EIGHT-CORE 16 9,449 151,184 AMD
5 RYZEN 7 3700X 8-CORE 16 7,505 120,080 AMD
6 RYZEN 5 3600 6-CORE 12 9,039 108,468 AMD
7 RYZEN 5 3500 6-CORE 6 13,269 79,614 AMD
8 XEON CPU E5-2690 V2 @ 3.00GHZ 20 3,334 66,680 Intel
9 XEON CPU E5-2630 0 @ 2.30GHZ 24 2,684 64,416 Intel
10 RYZEN 5 2600 SIX-CORE 12 3,790 45,480 AMD
11 RYZEN 5 4600HS 12 2,176 26,112 AMD
12 CORE I5-7300HQ CPU @ 2.50GHZ 4 2,587 10,348 Intel
13 CORE I7-6700HQ CPU @ 2.60GHZ 8 1,225 9,800 Intel
14 XEON CPU L5420 @ 2.50GHZ 4 2,169 8,676 Intel
15 CORE I3-6006U CPU @ 2.00GHZ 4 1,384 5,536 Intel