Publications by authors named "Timothy L Fletcher"

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Geometry Optimization with Machine Trained Topological Atoms.
François Zielinski, Peter I Maxwell, Timothy L Fletcher, Stuart J Davie, Nicodemo Di Pasquale

Sci Rep· October 2017

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FFLUX: Transferability of polarizable machine-learned electrostatics in peptide chains.
Timothy L Fletcher, Paul L A Popelier

J Comput Chem· May 2017

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Toward amino acid typing for proteins in FFLUX.
Timothy L Fletcher, Paul L A Popelier

J Comput Chem· March 2017

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Multipolar Electrostatic Energy Prediction for all 20 Natural Amino Acids Using Kriging Machine Learning.
Timothy L Fletcher, Paul L A Popelier

J Chem Theory Comput· June 2016

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Prediction of Intramolecular Polarization of Aromatic Amino Acids Using Kriging Machine Learning.
Timothy L Fletcher, Stuart J Davie, Paul L A Popelier

J Chem Theory Comput· September 2014

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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 Knowles, Paul L A Popelier

J Comput Chem· August 2013

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