Publications by authors named "Bertrand Caron"

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OFraMP: a fragment-based tool to facilitate the parametrization of large molecules.
Martin Stroet, Bertrand Caron, Martin S Engler, Jimi van der Woning, Aude Kauffmann

J Comput Aided Mol Des· August 2023

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PyThinFilm: Automated Molecular Dynamics Simulation Protocols for the Generation of Thin Film Morphologies.
Martin Stroet, Stephen Sanderson, Audrey V Sanzogni, Sharif Nada, Thomas Lee, Bertrand Caron

J Chem Inf Model· January 2023

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Curved or linear? Predicting the 3-dimensional structure of α-helical antimicrobial peptides in an amphipathic environment.
Glen van den Bergen, Martin Stroet, Bertrand Caron, David Poger, Alan E Mark

FEBS Lett· March 2020

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Automated partial atomic charge assignment for drug-like molecules: a fast knapsack approach.
Martin S Engler, Bertrand Caron, Lourens Veen, Daan P Geerke, Alan E Mark

Algorithms Mol Biol· February 2019

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Automated Topology Builder Version 3.0: Prediction of Solvation Free Enthalpies in Water and Hexane.
Martin Stroet, Bertrand Caron, Koen M Visscher, Daan P Geerke, Alpeshkumar K Malde

J Chem Theory Comput· November 2018

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Predicting the Prevalence of Alternative Warfarin Tautomers in Solution.
Alpeshkumar K Malde, Martin Stroet, Bertrand Caron, Koen M Visscher, Alan E Mark

J Chem Theory Comput· August 2018

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The Molecular Origin of Anisotropic Emission in an Organic Light-Emitting Diode.
Thomas Lee, Bertrand Caron, Martin Stroet, David M Huang, Paul L Burn

Nano Lett· October 2017

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Elucidating the Spatial Arrangement of Emitter Molecules in Organic Light-Emitting Diode Films.
Claire Tonnelé, Martin Stroet, Bertrand Caron, Andrew J Clulow, Ravi C R Nagiri

Angew Chem Int Ed Engl· July 2017

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Validating lipid force fields against experimental data: Progress, challenges and perspectives.
David Poger, Bertrand Caron, Alan E Mark

Biochim Biophys Acta· July 2016

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Effect of methyl-branched fatty acids on the structure of lipid bilayers.
David Poger, Bertrand Caron, Alan E Mark

J Phys Chem B· December 2014

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Some Like It Hot: The Effect of Sterols and Hopanoids on Lipid Ordering at High Temperature.
Bertrand Caron, Alan E Mark, David Poger

J Phys Chem Lett· November 2014

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