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Publication

Robustness in the Fitting of Molecular Mechanics Parameters

Journal Contribution - Journal Article

Journal: J.Comp.Chem

ISSN: 0192-8651

Issue: 14

Volume: 36

Pages: 1083-1101

Keywords:linear least squares, robustness, empirical force fields, optimization, CHARMM

DOI: https://doi.org/10.1002/jcc.23897
Scopus Id: 84928628737