Unraveling the energetic significance of chemical events in enzyme catalysis via machine-learning based regression approach
The bacterial enzyme class of β-lactamases are involved in benzylpenicillin acylation
reactions, which are currently being revisited using hybrid quantum mechanical molecular …
reactions, which are currently being revisited using hybrid quantum mechanical molecular …
ESBL and AmpC β-Lactamases in Clinical Strains of Escherichia coli from Serra da Estrela, Portugal
Background and Objectives: Given the considerable spatial, temporal, and ecological
factors, heterogeneity, which affects emergency response, persistence, and dissemination of …
factors, heterogeneity, which affects emergency response, persistence, and dissemination of …
Mapping conformational dynamics to individual steps in the TEM-1 β-Lactamase catalytic mechanism
Conformational dynamics are increasingly recognized as being essential for enzyme
function. However, there is virtually no direct experimental evidence to support the notion …
function. However, there is virtually no direct experimental evidence to support the notion …
Inactivation of TEM-1 by avibactam (NXL-104): insights from quantum mechanics/molecular mechanics metadynamics simulations
The fast and constant development of drug-resistant bacteria represents a serious medical
emergence. To overcome this problem, the development of drugs with new structures and …
emergence. To overcome this problem, the development of drugs with new structures and …
Development of a method for the fast detection of extended-spectrum β-lactamase-and plasmid-mediated Ampc β-lactamase-producing Escherichia coli and …
KW Seo - Animals, 2023 - mdpi.com
Simple Summary Extended-spectrum β-lactamase (ESBL) and plasmid-mediated AmpC
(pAmpC) β-lactamase-producing Escherichia coli and Klebsiella pneumoniae cause …
(pAmpC) β-lactamase-producing Escherichia coli and Klebsiella pneumoniae cause …
Machine learning classification model for functional binding modes of TEM-1 β-lactamase
TEM family of enzymes is one of the most commonly encountered β-lactamases groups with
different catalytic capabilities against various antibiotics. Despite the studies investigating …
different catalytic capabilities against various antibiotics. Despite the studies investigating …
Towards higher predictability in enzyme engineering: investigation of protein epistasis in dynamic ß-lactamases and Cal-A lipase
L Alejaldre Ripalda - 2021 - papyrus.bib.umontreal.ca
Enzyme engineering is a tool with great utility in the biotechnological industry. It allows to
tailor enzymes to a specific activity or reaction condition. In addition, it can allow to decipher …
tailor enzymes to a specific activity or reaction condition. In addition, it can allow to decipher …
Characterizing Conformational Dynamics and Catalytic Activity of Enzymes by Hydrogen-Deuterium Exchange Mass Spectrometry
RA Knox - 2019 - yorkspace.library.yorku.ca
Determining the conformational dynamics of enzymes as they undergo catalysis has been
challenging for decades due to the short timescale and limitations of traditional analysis …
challenging for decades due to the short timescale and limitations of traditional analysis …