NMR-Derived Salt Bridges in Insulin Analogue: Resolving Artifactual Overbinding in Molecular Dynamics via Charge Scaling

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Authors: Ngoc Lan Le Nguyen, Jiří Žák, Pavel Jungwirth, Martin Lepšík

Journal title: The Journal of Physical Chemistry Letters

Journal number: 16

Journal publisher: American Chemical Society (ACS)

Published year: 2025

DOI identifier: 10.1021/ACS.JPCLETT.5C01786

ISSN: 1948-7185