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"Simultaneous parametrization of torsional and third-neighbor interaction ..."

Yan M. H. Gonçalves et al. (2022)

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DOI: 10.1002/JCC.26819

access: closed

type: Journal Article

metadata version: 2022-04-01

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Yan M. H. Gonçalves, Sadra Kashefolgheta, Marina P. Oliveira, Philippe H. Hünenberger, Bruno A. C. Horta:
Simultaneous parametrization of torsional and third-neighbor interaction terms in force-field development: The LLS-SC algorithm. J. Comput. Chem. 43(9): 644-653 (2022)

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