The Role of Hydrophobic Nodes in the Dynamics of Class A β-Lactamases

The Role of Hydrophobic Nodes in the Dynamics of Class A β-Lactamases

Class A β-lactamases are known for being able to rapidly gain broad spectrum catalytic efficiency against most β-lactamase inhibitor combinations as a result of elusively minor point mutations. The evolution in class A β-lactamases occurs through optimisation of their dynamic phenotypes at different...

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Bibliographic Details
Main Authors: Edgar Olehnovics, Junqi Yin, Adrià Pérez, Gianni De Fabritiis, Robert A. Bonomo, Debsindhu Bhowmik, Shozeb Haider
Format: Article
Language:English
Published: Frontiers Media S.A. 2021-09-01
Series:Frontiers in Microbiology
Subjects:
β-lactamase
class A
hydrophobic nodes
Markov state model
deep learning
molecular dynamics
Online Access:https://www.frontiersin.org/articles/10.3389/fmicb.2021.720991/full

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https://www.frontiersin.org/articles/10.3389/fmicb.2021.720991/full

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