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Journal of Biomolecular Structure & Dynamics|June 10, 2023
Human indoleamine-2,3-dioxygenase 2 cofactor lability and low substrate affinity explained by homology modeling, molecular dynamics and molecular dockingManon Mirgaux, Laurence Leherte, Johan WoutersThe Journal of Physical Chemistry Letters|January 28, 2021
Molecular Mechanism for the Self-Supported Synthesis of Graphitic Carbon Nitride from Urea PyrolysisTitas Kumar Mukhopadhyay, Laurence Leherte, Ayan DattaJournal of Computer-Aided Molecular Design|November 18, 2005
Influence of conformation on the representation of small flexible molecules at low resolution: alignment of endothiapepsin ligandsLaurence Leherte, Nathalie Meurice, Daniel P VercauterenJournal of Biomolecular Structure & Dynamics|May 26, 2020
Investigation of bound and unbound phosphoserine phosphatase conformations through elastic network models and molecular dynamics simulationsLaurence Leherte, Marie Haufroid, Manon Mirgaux, et al.Acta Crystallographica. Section D, Structural Biology|June 18, 2019
Crystal structures and snapshots along the reaction pathway of human phosphoserine phosphataseMarie Haufroid, Manon Mirgaux, Laurence Leherte, et al.Journal of Molecular Graphics & Modelling|December 13, 2006
Structural, energetic, and dynamical properties of rotaxanes constituted of alpha-cyclodextrins and an azobenzene chainLudovic Briquet, Nicolas Staelens, Laurence Leherte, et al.Journal of Chemical Information and Modeling|October 4, 2008
Can descriptors of the electron density distribution help to distinguish functional groups?Julien Burton, Nathalie Meurice, Laurence Leherte, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|October 12, 2022
Description of non-covalent interactions in benzyl chalcocyanate crystals from smoothed Cromer-Mann electron density distribution functionsLaurence Leherte, Laurie Bodart, Johan Wouters, et al.Acta Crystallographica. Section D, Biological Crystallography|December 4, 2003
Description of protein-DNA complexes in terms of electron-density topological featuresAndy Becue, Nathalie Meurice, Laurence Leherte, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 22, 2014
Modeling of structural, energetic, and dynamic properties of few-atom silver clusters embedded in polynucleotide strands by using molecular dynamicsNicolas Staelens, Laurence Leherte, Benoît Champagne, et al.Pageof 3