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	Pour les 70 documents Envoyer sur ORCID RSS ATOM Exporter BibTeX XML-TEI CSV RTF EndNote PDF HTML Export avancé	Page : Page précédente 1 2 3 Page suivante	triés par Pertinence Auteur A→Z Auteur Z→A Titre A→Z Titre Z→A Date de publication croissante Date de publication décroissante Date de dépôt croissante Date de dépôt décroissante

		Study of N1-alkylation of indoles from the reaction of 2(or 3)-aminoindole-3-(or 2)carbonitriles with DMF-dialkylacetals Yvonnick Loidreau , Sigismund Melissen , Vincent Levacher , Cédric Logé , Jérôme Graton , et al. Organic & Biomolecular Chemistry, 2012, 10 (25), pp.4916-4925. ⟨10.1039/c2ob25747e⟩ Article dans une revue hal-00997070v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Molecular recognition of thiaclopride by Aplysia californica AChBP: new insights from a computational investigation Zakaria Alamiddine , Balaji Selvam , Jose P. Ceron-Carrasco , Monique Mathé-Allainmat , Jacques Lebreton , et al. Journal of Computer-Aided Molecular Design, 2015, 29 (12), pp.1151-1167. ⟨10.1007/s10822-015-9884-x⟩ Article dans une revue hal-01389009v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		alpha-Fluoro-o-cresols: The Key Role of Intramolecular Hydrogen Bonding in Conformational Preference and Hydrogen-Bond Acidity Elena Bogdan , Alexis Quarre De Verneuil , Francois Besseau , Guillaume Compain , Bruno Linclau , et al. ChemPhysChem, 2016, 17 (17), pp.2702-2709. ⟨10.1002/cphc.201600453⟩ Article dans une revue hal-02141349v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Neonicotinoids viewed from a computational chemistry perspective: Conformations, interaction sites and binding to a 3D model of insect nAChR Jean-Yves Le Questel , Zakaria Alamiddine , Jérôme Graton Abstracts of Papers of the American Chemical Society, 2016, 252 Article dans une revue hal-02141354v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		An Enthalpic Scale of Hydrogen-Bond Basicity. 4. Carbon pi Bases, Oxygen Bases, and Miscellaneous Second-Row, Third-Row, and Fourth-Row Bases and a Survey of the 4-Fluorophenol Affinity Scale Christian Laurence , Jérôme Graton , Michel Berthelot , Francois Besseau , Jean-Yves Le Questel , et al. Journal of Organic Chemistry, 2010, 75 (12), pp.4105-4123. ⟨10.1021/jo100461z⟩ Article dans une revue hal-02143496v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		New Insights on the Molecular Recognition of Imidacloprid with Aplysia californica AChBP: A Computational Study Jose P. Ceron-Carrasco , Denis Jacquemin , Jerôme Graton , Steeve Thany , Jean-Yves Le Questel Journal of Physical Chemistry B, 2013, 117 (15), pp.3944-3953. ⟨10.1021/jp310242n⟩ Article dans une revue hal-02648266v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		3,4-Dideoxy-3,3,4,4-tetrafluoro- and 4-OH epimeric 3-deoxy-3,3-difluoro-α-GalCer analogues: Synthesis and biological evaluation on human iNKT cells stimulation Samuel Golten , Allan Patinec , Katy Akoumany , Jézabel Rocher , Jérôme Graton , et al. European Journal of Medicinal Chemistry, 2019, 178, pp.195-213. ⟨10.1016/j.ejmech.2019.05.069⟩ Article dans une revue hal-03086847v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Dissymmetric Molecular Tweezers in Host–Guest Complexes: Internal or External Complexation? Titouan Jaunet-Lahary , Denis Jacquemin , Béatrice Legouin , Jean-Yves Le Questel , Jean-François Cupif , et al. Journal of Physical Chemistry C, 2015, 119 (7), pp.3771-3779. ⟨10.1021/jp511418d⟩ Article dans une revue hal-01116154v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Mechanistic and Structural Insights on the IL-15 System through Molecular Dynamics Simulations Rui P Sousa , Adèle Laurent , Agnès Quéméner , Erwan Mortier , Jean-Yves Le Questel Molecules, 2019, 24 (18), pp.3261. ⟨10.3390/molecules24183261⟩ Article dans une revue inserm-02289307v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		An expanded halogen bonding scale using astatine Lu Liu , Seyfeddine Rahali , Rémi Maurice , Cecilia Gomez Pech , Gilles F Montavon , et al. Chemical Science, 2021, 12 (32), pp.10855-10861. ⟨10.1039/d1sc02133h⟩ Article dans une revue hal-03312159v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Hydrogen-Bond Accepting Strength of Five-Membered N-Heterocycles: The Case of Substituted Phenylpyrrolines and Myosmines Virginie Arnaud , Michel Berthelot , Francois-Xavier Felpin , Jacques Lebreton , Jean-Yves Le Questel , et al. European Journal of Organic Chemistry, 2009, 29, pp.4939-4948. ⟨10.1002/ejoc.200900569⟩ Article dans une revue istex hal-02143935v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Insights into a highly conserved network of hydrogen bonds in the agonist binding site of nicotinic acetylcholine receptors: A structural and theoretical study Alexandre Atkinson , Jérôme Graton , Jean-Yves Le Questel Proteins - Structure, Function and Bioinformatics, 2014, 82 (10), pp.2303-2317. ⟨10.1002/prot.24589⟩ Article dans une revue istex hal-02142158v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Hydrogen-Bond Acidity of OH Groups in Various Molecular Environments (Phenols, Alcohols, Steroid Derivatives, and Amino Acids Structures): Experimental Measurements and Density Functional Theory Calculations Jérôme Graton , Francois Besseau , Anne-Marie Brossard , Eloise Charpentier , Arnaud Deroche , et al. Journal of Physical Chemistry A, 2013, 117 (49), pp.13184-13193. ⟨10.1021/jp410027h⟩ Article dans une revue hal-02142384v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Di- and heptavalent nicotinic analogues to interfere with alpha 7 nicotinic acetylcholine receptors Yoan Brissonnet , Rómulo Aráoz , Rui Sousa , Lucie Percevault , Sami Brument , et al. Bioorganic and Medicinal Chemistry, 2019, 27 (5), pp.700-707. ⟨10.1016/j.bmc.2019.01.013⟩ Article dans une revue hal-02140859v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Lipophilicity trends upon fluorination of isopropyl, cyclopropyl and 3-oxetanyl groups Benjamin Jeffries , Zhong Wang , Robert Troup , Anaïs Goupille , Jy. Le Questel , et al. Beilstein Journal of Organic Chemistry, 2020, 16, pp.2141-2150. ⟨10.3762/bjoc.16.182⟩ Article dans une revue hal-03416670v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Molecular features and toxicological properties of four common pesticides, acetamiprid, deltamethrin, chlorpyriphos and fipronil Emiliane Taillebois , Zakaria Alamiddine , Christine Brazier , Jérôme Graton , Adele D. Laurent , et al. Bioorganic and Medicinal Chemistry, 2015, 23 (7), pp.1540-1550. ⟨10.1016/j.bmc.2015.02.006⟩ Article dans une revue hal-01389010v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Structural features of neutral and protonated galanthamine: A crystallographic database and computational investigation S. Kone , N. Galland , J. Graton , Bertrand Illien , C. Laurence , et al. Chemical Physics, 2006, 328, pp.307-317 Article dans une revue hal-00320910v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Theoretical Study of the Structures and Hydrogen-Bond Properties of New Alternated Heterocyclic Compounds Alexandra Tabatchnik , Virginie Blot , Muriel Pipelier , Didier Dubreuil , Renault Eric , et al. Journal of Physical Chemistry A, 2010, 114 (22), pp.6413-6422. ⟨10.1021/jp101394t⟩ Article dans une revue hal-02143498v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Influence of Alcohol beta-Fluorination on Hydrogen-Bond Acidity of Conformationally Flexible Substrates Jérôme Graton , Guillaume Compain , François Besseau , Elena Bogdan , Joseph M. Watts , et al. Chemistry - A European Journal, 2017, 23 (12), pp.2811-2819. ⟨10.1002/chem.201604940⟩ Article dans une revue hal-02141307v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Computer modelling of sulfated carbohydrates : applications to carrageenans J.Y. Le Questel , Sylvain Cros , W. Mackie , Sarah Perez International Journal of Biological Macromolecules, 1995, 17 (3-4), pp.161-175 Article dans une revue hal-02706139v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		New insights on the molecular features and electrophysiological properties of dinotefuran, imidacloprid and acetamiprid neonicotinoid insecticides Jean-Yves Le Questel , Jerome Graton , Jose P. Ceron-Carrasco , Denis Jacquemin , Aurelien Planchat , et al. Bioorganic and Medicinal Chemistry, 2011, 19 (24), pp.7623-7634. ⟨10.1016/j.bmc.2011.10.019⟩ Article dans une revue hal-02143148v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Theoretical investigation of the AtO⁺ hydrolyzed species in ligand-exchange reactions including solvation effects Dumitru-Claudiu Sergentu , Julie Champion , A. Sabatie-Gogova , J. Y. Le Questel , Rémi Maurice , et al. 6emes Journées de l'Ecole Doctorale 3MPL, Jun 2014, Nantes, France Poster de conférence in2p3-01154127v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Individual Hydrogen-Bond Strength QSPR Modelling with ISIDA Local Descriptors: a Step Towards Polyfunctional Molecules Fiorella Ruggiu , Vitaly Solovyev , Gilles Marcou , Dragos Horvath , Jérôme Graton , et al. Molecular Informatics, 2014, 33 (6-7), pp.477-487. ⟨10.1002/minf.201400032⟩ Article dans une revue istex hal-03150657v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A Study of Intramolecular Hydrogen Bonding in Levoglucosan Derivatives Lucas Quiquempoix , Elena Bogdan , Neil J. Wells , Jy. Le Questel , Jérôme Graton , et al. Molecules, 2017, 22 (4), ⟨10.3390/molecules22040518⟩ Article dans une revue hal-02141297v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Astatine Facing Janus: Halogen Bonding vs. Charge-Shift Bonding Serigne Sarr , Julien Pilmé , Gilles F Montavon , Jean-Yves Le Questel , Nicolas Galland Molecules, 2021, 26 (15), pp.4568. ⟨10.3390/molecules26154568⟩ Article dans une revue hal-03346537v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Hydrogen-Bond Accepting Properties of New Heteroaromatic Ring Chemical Motifs: A Theoretical Study Paul Popelier , Jérôme Graton , Jean-Yves Le Questel , Peter Maxwell Journal of Chemical Information and Modeling, 2016, 56 (2), pp.322-334. ⟨10.1021/acs.jcim.5b00574⟩ Article dans une revue hal-02141567v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Observation on how intramolecular hydrogen bonding of alcohol with fluorine affects its intermolecular hydrogen bonding with acceptors Guillaume Compain , Zhong Wang , Lewis Atugonza Mtashobya , Jérôme Graton , Jean-Yves Le Questel , et al. Abstracts of Papers of the American Chemical Society, 2014, 248 Article dans une revue hal-02142255v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		The pK(BHX) Database: Toward a Better Understanding of Hydrogen-Bond Basicity for Medicinal Chemists Christian Laurence , Ken A. Brameld , Jérôme Graton , Jean-Yves Le Questel , Renault Eric Journal of Medicinal Chemistry, 2009, 52 (14), pp.4073-4086. ⟨10.1021/jm801331y⟩ Article dans une revue hal-02143938v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Pretreatment of the cockroach cercal afferent/giant interneuron synapses with nicotinoids and neonicotinoids differently affects acetylcholine and nicotine-induced ganglionic depolarizations Benzidane Yassine , Xavier Leray , Charlotte Falaise , Sophie Quinchard , José Pedro Ceron-Carrasco , et al. Invertebrate Neuroscience, 2013, 13 (2), pp.91-97. ⟨10.1007/s10158-013-0151-3⟩ Article dans une revue istex hal-02268785v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Binding of Sulfoxaflor to Aplysia californica -AChBP: Computational Insights from Multiscale Approaches Zakaria Alamiddine , Balaji Selvam , Jerome Graton , Adèle Laurent , Elodie Landagaray , et al. Journal of Chemical Information and Modeling, 2019, 59 (9), pp.3755-3769. ⟨10.1021/acs.jcim.9b00272⟩ Article dans une revue hal-02314990v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More

Filtrer vos résultats

Study of N1-alkylation of indoles from the reaction of 2(or 3)-aminoindole-3-(or 2)carbonitriles with DMF-dialkylacetals

Molecular recognition of thiaclopride by Aplysia californica AChBP: new insights from a computational investigation

alpha-Fluoro-o-cresols: The Key Role of Intramolecular Hydrogen Bonding in Conformational Preference and Hydrogen-Bond Acidity

Neonicotinoids viewed from a computational chemistry perspective: Conformations, interaction sites and binding to a 3D model of insect nAChR

An Enthalpic Scale of Hydrogen-Bond Basicity. 4. Carbon pi Bases, Oxygen Bases, and Miscellaneous Second-Row, Third-Row, and Fourth-Row Bases and a Survey of the 4-Fluorophenol Affinity Scale

New Insights on the Molecular Recognition of Imidacloprid with Aplysia californica AChBP: A Computational Study

3,4-Dideoxy-3,3,4,4-tetrafluoro- and 4-OH epimeric 3-deoxy-3,3-difluoro-α-GalCer analogues: Synthesis and biological evaluation on human iNKT cells stimulation

Dissymmetric Molecular Tweezers in Host–Guest Complexes: Internal or External Complexation?

Mechanistic and Structural Insights on the IL-15 System through Molecular Dynamics Simulations

An expanded halogen bonding scale using astatine

Hydrogen-Bond Accepting Strength of Five-Membered N-Heterocycles: The Case of Substituted Phenylpyrrolines and Myosmines

Insights into a highly conserved network of hydrogen bonds in the agonist binding site of nicotinic acetylcholine receptors: A structural and theoretical study

Hydrogen-Bond Acidity of OH Groups in Various Molecular Environments (Phenols, Alcohols, Steroid Derivatives, and Amino Acids Structures): Experimental Measurements and Density Functional Theory Calculations

Di- and heptavalent nicotinic analogues to interfere with alpha 7 nicotinic acetylcholine receptors

Lipophilicity trends upon fluorination of isopropyl, cyclopropyl and 3-oxetanyl groups

Molecular features and toxicological properties of four common pesticides, acetamiprid, deltamethrin, chlorpyriphos and fipronil

Structural features of neutral and protonated galanthamine: A crystallographic database and computational investigation

Theoretical Study of the Structures and Hydrogen-Bond Properties of New Alternated Heterocyclic Compounds

Influence of Alcohol beta-Fluorination on Hydrogen-Bond Acidity of Conformationally Flexible Substrates

Computer modelling of sulfated carbohydrates : applications to carrageenans

New insights on the molecular features and electrophysiological properties of dinotefuran, imidacloprid and acetamiprid neonicotinoid insecticides

Theoretical investigation of the AtO+ hydrolyzed species in ligand-exchange reactions including solvation effects

Individual Hydrogen-Bond Strength QSPR Modelling with ISIDA Local Descriptors: a Step Towards Polyfunctional Molecules

A Study of Intramolecular Hydrogen Bonding in Levoglucosan Derivatives

Astatine Facing Janus: Halogen Bonding vs. Charge-Shift Bonding

Hydrogen-Bond Accepting Properties of New Heteroaromatic Ring Chemical Motifs: A Theoretical Study

Observation on how intramolecular hydrogen bonding of alcohol with fluorine affects its intermolecular hydrogen bonding with acceptors

The pK(BHX) Database: Toward a Better Understanding of Hydrogen-Bond Basicity for Medicinal Chemists

Pretreatment of the cockroach cercal afferent/giant interneuron synapses with nicotinoids and neonicotinoids differently affects acetylcholine and nicotine-induced ganglionic depolarizations

Binding of Sulfoxaflor to Aplysia californica -AChBP: Computational Insights from Multiscale Approaches

Theoretical investigation of the AtO⁺ hydrolyzed species in ligand-exchange reactions including solvation effects