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Journal of Computational Chemistry|March 16, 2017
FFLUX: Transferability of polarizable machine-learned electrostatics in peptide chainsTimothy L Fletcher, Paul L A PopelierJournal of Chemical Theory and Computation|May 26, 2016
Multipolar Electrostatic Energy Prediction for all 20 Natural Amino Acids Using Kriging Machine LearningTimothy L Fletcher, Paul L A PopelierJournal of Computational Chemistry|December 20, 2016
Toward amino acid typing for proteins in FFLUXTimothy L Fletcher, Paul L A PopelierJournal of Chemical Theory and Computation|November 21, 2015
Prediction of Intramolecular Polarization of Aromatic Amino Acids Using Kriging Machine LearningTimothy L Fletcher, Stuart J Davie, Paul L A PopelierJournal of Computational Chemistry|May 31, 2013
Accuracy and tractability of a kriging model of intramolecular polarizable multipolar electrostatics and its application to histidineShaun M Kandathil, Timothy L Fletcher, Yongna Yuan, et al.Journal of Molecular Modeling|August 25, 2022
Non-covalent interactions from a Quantum Chemical Topology perspectivePaul L A PopelierThe Journal of Physical Chemistry. A|October 8, 2011
Fully analytical integration over the 3D volume bounded by the β sphere in topological atomsPaul L A PopelierJournal of Computational Chemistry|January 12, 2018
A fully analytical integration of properties over the 3D volume of the β sphere in topological atomsPaul L A PopelierThe Journal of Physical Chemistry. A|January 6, 2023
Linking the Interatomic Exchange-Correlation Energy to Experimental J-Coupling ConstantsIbon Alkorta, Paul L A PopelierThe Journal of Physical Chemistry. B|March 6, 2009
Prediction of interaction energies of substituted hydrogen-bonded Watson-Crick cytosine:guanine(8X) base pairsChunxia Xue, Paul L A PopelierPageof 15