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Protonation states of class-C $$\varvec{\beta}$$-lactamases determined by a combination of thermodynamic integration and unified free energy dynamics

Published Online: 2026-02-17

Authors

Verma, Shivani

Nair, Nisanth N https://orcid.org/0000-0001-8650-8873
Funding

Funding for this research was provided by:

Science and Engineering Research Board (CRG/2019/001276)
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Text and Data Mining valid from 2026-02-17

Version of Record valid from 2026-02-17
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Article History

Received: 30 May 2025

Revised: 16 August 2025

Accepted: 22 August 2025

First Online: 17 February 2026

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