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Journal of Chemical Theory and Computation
|
May 26, 2016
Multipolar Electrostatic Energy Prediction for all 20 Natural Amino Acids Using Kriging Machine Learning
Timothy L Fletcher, Paul L A Popelier
Journal of Computational Chemistry
|
December 20, 2016
Toward amino acid typing for proteins in FFLUX
Timothy L Fletcher, Paul L A Popelier
Journal of Computational Chemistry
|
March 16, 2017
FFLUX: Transferability of polarizable machine-learned electrostatics in peptide chains
Timothy L Fletcher, Paul L A Popelier
Journal of Chemical Theory and Computation
|
November 21, 2015
Prediction of Intramolecular Polarization of Aromatic Amino Acids Using Kriging Machine Learning
Timothy L Fletcher, Stuart J Davie, Paul L A Popelier
Journal of Computational Chemistry
|
May 31, 2013
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, et al.
Scientific Reports
|
October 11, 2017
Geometry Optimization with Machine Trained Topological Atoms
François Zielinski, Peter I Maxwell, Timothy L Fletcher, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
May 26, 2016
Multipolar Electrostatic Energy Prediction for all 20 Natural Amino Acids Using Kriging Machine Learning
Timothy L Fletcher, Paul L A Popelier
Journal of Computational Chemistry
|
December 20, 2016
Toward amino acid typing for proteins in FFLUX
Timothy L Fletcher, Paul L A Popelier
Journal of Computational Chemistry
|
March 16, 2017
FFLUX: Transferability of polarizable machine-learned electrostatics in peptide chains
Timothy L Fletcher, Paul L A Popelier
Journal of Chemical Theory and Computation
|
November 21, 2015
Prediction of Intramolecular Polarization of Aromatic Amino Acids Using Kriging Machine Learning
Timothy L Fletcher, Stuart J Davie, Paul L A Popelier
Journal of Computational Chemistry
|
May 31, 2013
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, et al.
Scientific Reports
|
October 11, 2017
Geometry Optimization with Machine Trained Topological Atoms
François Zielinski, Peter I Maxwell, Timothy L Fletcher, et al.
Page
of 1