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

Journal of Chemical Sciences 2026

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Authors: Shivani Verma, Nisanth N. Nair

DOI: 10.1007/s12039-025-02450-2

Cited by: 0

References: 55

Fields of Study & Subjects

Protein Structure and Dynamics Computational Drug Discovery Methods Advanced Chemical Physics Studies

References 55