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Multipolar force fields for amide-I spectroscopy from conformational dynamics of the alanine trimer

Multipolar force fields for amide-I spectroscopy from conformational dynamics of the alanine trimer

AUTHOR’S – Mondal , P., Cazade, P. A., Das, A. K., Bereau, T., & Meuwly, M. (2021).

Journal of Physical Chemistry B, 125(39), 10928-10938. DOI: 10.1021/acs.jpcb.1c05423