Corrections in the CHARMM36 parametrization of chloride interactions with proteins, lipids, and alkali cations, and extension to other halide anions

Authors

Esam A Orabi, National Institutes of Health, Bethesda
Tuǧba N Öztürk, Washington University School of Medicine in St. Louis
Nathan Bernhardt, National Institutes of Health, Bethesda
José D Faraldo-Gómez, National Institutes of Health, Bethesda

Journal

Journal of Chemical Theory and Computation

Publication Date

10-12-2021

Volume

17

Issue

10

First Page

6240

Last Page

6261

Document Type

Open Access Publication

DOI

10.1021/acs.jctc.1c00550

Rights and Permissions

Orabi EA, Öztürk TN, Bernhardt N, Faraldo-Gómez JD. Corrections in the CHARMM36 Parametrization of Chloride Interactions with Proteins, Lipids, and Alkali Cations, and Extension to Other Halide Anions. J Chem Theory Comput. 2021 Oct 12;17(10):6240-6261. doi: 10.1021/acs.jctc.1c00550. Not subject to U.S. Copyright. Published 2021 by American Chemical Society

Recommended Citation

Orabi, Esam A; Öztürk, Tuǧba N; Bernhardt, Nathan; and Faraldo-Gómez, José D, "Corrections in the CHARMM36 parametrization of chloride interactions with proteins, lipids, and alkali cations, and extension to other halide anions." Journal of Chemical Theory and Computation. 17, 10. 6240 - 6261. (2021).
https://digitalcommons.wustl.edu/oa_4/69