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2020 – today
- 2024
[j8]Mike Devereux
, Eric D. Boittier, Markus Meuwly:
Systematic improvement of empirical energy functions in the era of machine learning. J. Comput. Chem. 45(22, August): 1899-1913 (2024)
2010 – 2019
- 2016
- [c2]Mikolaj E. Kundegorski, Samet Akcay, Michael Devereux, André Mouton, Toby P. Breckon:
On using feature descriptors as visual words for object detection within X-ray baggage security screening. ICDP 2016: 1-6 - [c1]Samet Akcay, Mikolaj E. Kundegorski, Michael Devereux, Toby P. Breckon:
Transfer learning using convolutional neural networks for object classification within X-ray baggage security imagery. ICIP 2016: 1057-1061 - 2015
- [j7]Todor Dudev, Mike Devereux, Markus Meuwly, Carmay Lim, Jean-Philip Piquemal, Nohad Gresh:
Quantum-chemistry based calibration of the alkali metal cation series (Li+-Cs+) for large-scale polarizable molecular mechanics/dynamics simulations. J. Comput. Chem. 36(5): 285-302 (2015) - 2014
- [j6]Franziska D. Hofmann, Michael Devereux, Andreas Pfaltz, Markus Meuwly:
Toward force fields for atomistic simulations of iridium-containing complexes. J. Comput. Chem. 35(1): 18-29 (2014) - [j5]Michael Devereux, Nohad Gresh, Jean-Philip Piquemal, Markus Meuwly:
A supervised fitting approach to force field parametrization with application to the SIBFA polarizable force field. J. Comput. Chem. 35(21): 1577-1591 (2014) - 2010
- [j4]Michael Devereux, Markus Meuwly:
Force Field Optimization using Dynamics and Ensemble Averaged Data: Vibrational Spectra and Relaxation in Bound MbCO. J. Chem. Inf. Model. 50(3): 349-357 (2010)
2000 – 2009
- 2009
- [j3]Michael Devereux, Paul L. A. Popelier, Iain M. McLay:
Toward an ab initio fragment database for bioisosterism: Dependence of QCT properties on level of theory, conformation, and chemical environment. J. Comput. Chem. 30(8): 1300-1318 (2009) - [j2]Michael Devereux, Paul L. A. Popelier, Iain M. McLay:
Quantum Isostere Database: A Web-Based Tool Using Quantum Chemical Topology To Predict Bioisosteric Replacements for Drug Design. J. Chem. Inf. Model. 49(6): 1497-1513 (2009) - 2004
- [j1]Michael Devereux:
A Modified Szilard's Engine: Measurement, Information, and Maxwell's Demon. Entropy 6(1): 102-115 (2004)
Coauthor Index
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