Search Results - "Charlier, Landry"
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Coarse-Grained Simulations of the HIV-1 Matrix Protein Anchoring: Revisiting Its Assembly on Membrane Domains
Published in Biophysical journal (04-02-2014)“…In the accepted model for human immunodeficiency virus preassembly in infected host cells, the anchoring to the intracellular leaflet of the membrane of the…”
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The molecular basis of the adsorption of xylans on cellulose surface
Published in Cellulose (London) (01-04-2012)“…In order to model the adsorption of xylan on cellulose, we have simulated, at the atomic level, the gas phase adsorption of small xylan fragments having 5…”
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Structural and Molecular Determinants of Membrane Binding by the HIV-1 Matrix Protein
Published in Journal of molecular biology (24-04-2016)“…Assembly of HIV-1 particles is initiated by the trafficking of viral Gag polyproteins from the cytoplasm to the plasma membrane, where they co-localize and bud…”
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Discrimination between Olfactory Receptor Agonists and Non-agonists
Published in Chemistry : a European journal (11-08-2014)“…A joint approach combining free‐energy calculations and calcium‐imaging assays on the broadly tuned human 1G1 olfactory receptor is reported. The free energy…”
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Molecular Modeling of the Structural and Dynamical Properties of Secondary Plant Cell Walls: Influence of Lignin Chemistry
Published in The journal of physical chemistry. B (12-04-2012)“…A modeling of lignified secondary plant cell walls adapted to grass has been achieved, using molecular dynamics for time up to 180 ns, applied to systems…”
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Coarse-Grained Prediction of Peptide Binding to G‑Protein Coupled Receptors
Published in Journal of chemical information and modeling (27-03-2017)“…In this study, we used the Martini Coarse-Grained model with no applied restraints to predict the binding mode of some peptides to G-Protein Coupled Receptors…”
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Amyloidogenicity as a driving force for the formation of functional oligomers
Published in Journal of structural biology (01-10-2020)“…[Display omitted] •Globular domains flanking amyloid-forming regions can prevent the formation of cross-β amyloids.•Coarse-grained and rigid body simulation…”
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How broadly tuned olfactory receptors equally recognize their agonists. Human OR1G1 as a test case
Published in Cellular and molecular life sciences : CMLS (01-12-2012)“…The molecular features that dominate the binding mode of agonists by a broadly tuned olfactory receptor are analyzed through a joint approach combining cell…”
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Probing the helical forms of Ca2+-guluronan junction zones in alginate gels by molecular dynamics 1: Duplexes
Published in Biopolymers (01-08-2013)“…A molecular dynamics investigation of the helical forms adopted by (1→4)‐α‐L‐guluronan in explicit water environment was carried out. Single chains and…”
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Dissociation of membrane-anchored heterotrimeric G-protein induced by G(α) subunit binding to GTP
Published in Journal of chemical information and modeling (26-11-2012)“…Heterotrimeric G-proteins' activation on the intracellular side of the cell membrane is initiated by stimulation of the G-Protein Coupled Receptors (GPCRs)…”
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Dissociation of Membrane-Anchored Heterotrimeric G‑Protein Induced by Gα Subunit Binding to GTP
Published in Journal of chemical information and modeling (26-11-2012)“…Heterotrimeric G-proteins' activation on the intracellular side of the cell membrane is initiated by stimulation of the G-Protein Coupled Receptors (GPCRs)…”
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Probing the helical forms of Ca 2+ ‐guluronan junction zones in alginate gels by molecular dynamics 1: Duplexes
Published in Biopolymers (01-08-2013)“…A molecular dynamics investigation of the helical forms adopted by (1→4)‐α‐ L ‐guluronan in explicit water environment was carried out. Single chains and…”
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Probing the helical forms of Ca super(2+)-guluronan junction zones in alginate gels by molecular dynamics 1: Duplexes
Published in Biopolymers (01-08-2013)“…A molecular dynamics investigation of the helical forms adopted by (1 arrow right 4)- alpha -L-guluronan in explicit water environment was carried out. Single…”
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Dissociation of Membrane-Anchored Heterotrimeric G-Protein Induced by G^sub [alpha]^ Subunit Binding to GTP
Published in Journal of chemical information and modeling (26-11-2012)“…Heterotrimeric G-proteins' activation on the intracellular side of the cell membrane is initiated by stimulation of the G-Protein Coupled Receptors (GPCRs)…”
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Interaction between odorants and proteins involved in the perception of smell: the case of odorant-binding proteins probed by molecular modelling and biophysical data
Published in Flavour and fragrance journal (01-11-2012)“…ABSTRACT A joint approach that combines molecular modelling and fluorescence spectroscopy is used to study the affinity of an odorant binding protein towards…”
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Binding free energy prediction in strongly hydrophobic biomolecular systems
Published in Physical chemistry chemical physics : PCCP (01-01-2007)“…We present a comparison of various computational approaches aiming at predicting the binding free energy in ligand-protein systems where the ligand is located…”
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Deciphering the Selectivity of Bombyx mori Pheromone Binding Protein for Bombykol over Bombykal: A Theoretical Approach
Published in Chemphyschem (22-12-2008)“…In this article we report calculations dedicated to estimate the selectivity of the Bombyx mori pheromone binding protein towards the two closely related…”
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Molecular modelling of odorant/olfactory receptor complexes
Published in Methods in molecular biology (Clifton, N.J.) (2013)“…Providing a rationale that associates a chemical structure of an odorant to its induced perception has been sought for a long time. To achieve this, a detailed…”
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