Systematic Parameterization and Simulation of Boronic Acid−β-Lactamase Aqueous Solution in Developing the ABEEMσπ Polarizable Force Field
Author:
Affiliation:
1. School of Chemistry and Chemical Engineering, Liaoning Normal University, Dalian 116029, People’s Republic of China
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.0c06806
Reference96 articles.
1. Structural Milestones in the Reaction Pathway of an Amide Hydrolase
2. Design and Exploration of Novel Boronic Acid Inhibitors Reveals Important Interactions with a Clavulanic Acid-Resistant Sulfhydryl-Variable (SHV) β-Lactamase
3. Antibiotic adjuvants – A strategy to unlock bacterial resistance to antibiotics
4. Energetic, structural, and antimicrobial analyses of β-lactam side chain recognition by β-lactamases
5. The future challenges facing the development of new antimicrobial drugs
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