Accuracy and tractability of a kriging model of intramolecular polarizable multipolar electrostatics and its application to histidine. - Shaun M. Kandathil; Timothy L. Fletcher; Yongna Yuan; Joshua D. Knowles; Paul L. A. Popelier (J. Comput. Chem., 2013)

Toward amino acid typing for proteins in FFLUX. - Timothy L. Fletcher; Paul L. A. Popelier (J. Comput. Chem., 2017)

FFLUX: Transferability of polarizable machine-learned electrostatics in peptide chains. - Timothy L. Fletcher; Paul L. A. Popelier (J. Comput. Chem., 2017)