RESEARCH: Β-LACTMASES
FOLDING PROJECT #16453 PROFILE

PROJECT TEAM

Manager(s): Sukrit Singh
Institution: Washington University in St. Louis

WORK UNIT INFO

Atoms: 33,302
Core: GRO_A7
Status: Public

Related Projects

TLDR; PROJECT SUMMARY AI BETA

This project studies ancient enzymes (beta-lactamases) that break down penicillin. By comparing these old enzymes to modern ones, scientists hope to find hidden pockets they could use to design new drugs that fight antibiotic resistance.

Note: This TLDR is a simplication and may not be 100% accurate.

OFFICAL PROJECT DESCRIPTION

This project studies the R241P 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.

RELATED TERMS GLOSSARY AI BETA

Note: Glossary items are a high level summary and may not be 100% accurate.

R241P

Point mutation in Tem-1 beta-lactamase

Acronym: Biotechnology
Microbiology / Antibiotic Resistance

R241P is a specific genetic change (mutation) within the Tem-1 beta-lactamase enzyme. This mutation alters the structure and function of the enzyme, potentially increasing its resistance to certain antibiotics.


Tem-1

A type of beta-lactamase enzyme.

Technical: Biotechnology
Microbiology / Antibiotic Resistance

Tem-1 is a common type of enzyme produced by bacteria that breaks down penicillin and related antibiotics. This enzyme contributes to antibiotic resistance in bacteria.


beta-Lactamase

An enzyme that breaks down beta-lactam antibiotics.

Technical: Biotechnology
Microbiology / Antibiotic Resistance

Beta-lactamases are enzymes produced by bacteria that can break down the chemical structure of penicillin and related antibiotics. This process makes the antibiotics ineffective.


Penicillin

A type of antibiotic.

Scientific: Biotechnology
Pharmacology / Antibiotics

Penicillin is a group of antibiotics derived from fungi. They work by interfering with the ability of bacteria to build their cell walls, ultimately killing them.


Antibiotic Resistance

The ability of bacteria to resist the effects of antibiotics.

Scientific: Biotechnology
Microbiology / Public Health

Antibiotic resistance occurs when bacteria evolve mechanisms to survive exposure to antibiotics. This poses a serious threat to public health as infections become harder to treat.


Gram Negative

A classification of bacteria based on cell wall structure.

Scientific: Biotechnology
Microbiology / Bacterial Classification

Gram-negative bacteria are classified by their unique cell wall structure, which contains a thin peptidoglycan layer and an outer membrane. This structure makes them resistant to certain antibiotics.


Enzyme

A type of protein that catalyzes (speeds up) chemical reactions.

Scientific: Biotechnology
Biochemistry / Protein Function

Enzymes are essential biological molecules that act as catalysts, facilitating and accelerating biochemical reactions within living organisms. They play crucial roles in various processes, including metabolism, digestion, and DNA replication.

PROJECT FOLDING PPD AVERAGES BY GPU

Data as of Tuesday, 14 April 2026 06:31:30
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PROJECT FOLDING PPD AVERAGES BY CPU BETA

Data as of Tuesday, 14 April 2026 06:31:30
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 15,491 743,568 AMD
2 RYZEN 9 3950X 16-CORE 32 15,464 494,848 AMD
3 RYZEN 9 3900XT 12-CORE 24 12,434 298,416 AMD
4 RYZEN 9 3900X 12-CORE 24 12,296 295,104 AMD
5 RYZEN THREADRIPPER 2950X 16-CORE 32 7,842 250,944 AMD
6 RYZEN 7 5800X 8-CORE 16 14,186 226,976 AMD
7 XEON CPU E5-2686 V4 @ 2.30GHZ 36 6,036 217,296 Intel
8 CORE I9-10900X CPU @ 3.70GHZ 20 9,435 188,700 Intel
9 RYZEN 7 3700X 8-CORE 16 10,991 175,856 AMD
10 CORE I9-7920X CPU @ 2.90GHZ 24 6,877 165,048 Intel
11 CORE I9-9900KF CPU @ 3.60GHZ 16 9,992 159,872 Intel
12 RYZEN 7 2700X EIGHT-CORE 16 9,907 158,512 AMD
13 CORE I9-9900K CPU @ 3.60GHZ 16 8,984 143,744 Intel
14 RYZEN THREADRIPPER 1920X 12-CORE 24 5,936 142,464 AMD
15 CORE I7-8700K CPU @ 3.70GHZ 12 11,479 137,748 Intel
16 RYZEN 5 3600 6-CORE 12 9,870 118,440 AMD
17 RYZEN 5 3600X 6-CORE 12 9,353 112,236 AMD
18 XEON CPU E5-2660 0 @ 2.20GHZ 32 3,123 99,936 Intel
19 CORE I7-9700 CPU @ 3.00GHZ 8 12,332 98,656 Intel
20 XEON CPU E5-2690 V2 @ 3.00GHZ 20 3,535 70,700 Intel
21 CORE I5-10400F CPU @ 2.90GHZ 12 5,693 68,316 Intel
22 CORE2 DUO CPU T7700 @ 2.40GHZ 12 5,675 68,100 Intel
23 XEON CPU E5-2630 0 @ 2.30GHZ 24 2,799 67,176 Intel
24 RYZEN 5 2600X SIX-CORE 12 5,549 66,588 AMD
25 XEON CPU X5570 @ 2.93GHZ 16 4,121 65,936 Intel
26 CORE I7-4980HQ CPU @ 2.80GHZ 8 7,590 60,720 Intel
27 CORE I9-9880H CPU @ 2.30GHZ 16 3,464 55,424 Intel
28 CORE I5-3570K CPU @ 3.40GHZ 4 10,704 42,816 Intel
29 CORE I7-8705G CPU @ 3.10GHZ 8 4,287 34,296 Intel
30 CORE I7-6700K CPU @ 4.00GHZ 8 4,155 33,240 Intel
31 XEON SILVER 4116 CPU @ 2.10GHZ 24 1,375 33,000 Intel
32 CORE I5-2500K CPU @ 3.30GHZ 4 5,230 20,920 Intel
33 PHENOM II X6 1090T 6 3,399 20,394 AMD
34 CORE I3-6006U CPU @ 2.00GHZ 4 1,448 5,792 Intel