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182 résultats

	Pour les 182 documents Envoyer sur ORCID RSS ATOM Exporter BibTeX XML-TEI CSV RTF EndNote PDF HTML Export avancé	Page : Page précédente 1 2 3 4 5 6 7 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

		Exploring the flexibility of Pin1 peptidyl-prolyl isomerase using molecular dynamics simulations Nawel Mele , Bogdan Iorga 9e Journées de la Société Française de Chémoinformatique (SFCi), Société Française de Chémoinformatique (SFCi), Nov 2019, Paris, France Communication dans un congrès hal-04335974v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Euphorbia dendroides Latex as Source of Jatrophane Esters: Their Isolation, Structural Analysis, Conformational Study and Anti-CHIKV Activity M. Esposito , L-F Nothias-Scaglia , H. Nedev , J-F Gallard , P. Leyssen , et al. Journal of Natural Products, 2016, 79 (11), pp.2873-2882. ⟨10.1021/acs.jnatprod.6b00644⟩ Article dans une revue hal-01591218v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		The effect of mutation on an aggregation-prone protein: An in vivo, in vitro, and in silico analysis N. Guthertz , R. van der Kant , R. Martinez , Y. Xu , C. Trinh , et al. Proceedings of the National Academy of Sciences of the United States of America, 2022, 119 (22), pp.e2200468119. ⟨10.1073/pnas.2200468119⟩ Article dans une revue hal-03779985v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		In silico prediction of β-lactamase hydrolysis efficiency: Finding the right balance between kinetic and thermodynamic terms Agustin Zavala , Saoussen Oueslati , Edithe Selwa , Eddy Elisée , Thierry Naas , et al. 256th ACS National Meeting, American Chemical Society (ACS), Aug 2018, Boston (MA), United States Communication dans un congrès hal-04336608v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Chapter 8. Computational Approaches to Ionotropic Glutamate Receptors Ranjit Vijayan , Bogdan Iorga , Philip Biggin Molecular Simulations and Biomembranes - From Biophysics to Function, pp.203-224, 2010, ⟨10.1039/9781849732154-00203⟩ Chapitre d'ouvrage istex hal-03161536v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Activation mechanism of carbonic anhydrases explored by molecular dynamics simulations Eddy Elisée , Bogdan Iorga 11th International Conference on Carbonic Anhydrases, Jun 2018, Bucharest, Romania Communication dans un congrès hal-04336011v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Evaluation of Clostridium botulinum A5 neurotoxin actions in vivo and ex vivo at the mouse skeletal neuromuscular junction Évelyne Benoit , Aurélie Couesnon , Bogdan I Iorga , Michel R. Popoff , Jordi Molgó RT28 – 28th Meeting of the French Society of Toxinology – Toxins: What’s up, Doc?, Nov 2022, Paris, France Poster de conférence hal-04472746v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		LMB-1 producing Citrobacter freundii from Argentina, a novel player in the field of MBLs Laura Dabos , Carlos Rodriguez , Marcela Nastro , Laurent Dortet , Rémy Bonnin , et al. International Journal of Antimicrobial Agents, 2020, 55 (2), pp.105857. ⟨10.1016/j.ijantimicag.2019.11.014⟩ Article dans une revue hal-02470562v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Optimization of the rapid carbapenem inactivation method for use with AmpC hyperproducers-authors’ response Mădălina Maria Muntean , Andrei-Alexandru Muntean , François Guerin , Vincent Cattoir , Elodie Creton , et al. Journal of Antimicrobial Chemotherapy, 2022, 77 (4), pp.1208-1209. ⟨10.1093/jac/dkac058⟩ Article dans une revue hal-03595581v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Controlled monohalogenation of phosphonates Part IV. Selective synthesis of monohalomethylenediphosphonates Bogdan Iorga , Philippe Savignac Journal of Organometallic Chemistry, 2001, 624 (1-2), pp.203-207. ⟨10.1016/s0022-328x(00)00889-5⟩ Article dans une revue istex hal-03161510v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Cyanomethylene-bis(phosphonate) as ditopical ligand: stepwise formation of a 2-D heterometallic Fe(III)-Ag(I) coordination network Catalin Maxim , Diana Branzea , Magali Allain , Marius Andruh , Rodolphe Clérac , et al. CrystEngComm, 2012, 14 (9), pp.3096-3102. ⟨10.1039/c2ce06261e⟩ Article dans une revue hal-00686474v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Carbonic Anhydrase Activators: Synthesis of High Affinity Isozymes I, II and IV Activators, Derivatives of 4-(4-Tosylureido-Amino Acyl)Ethyl-1 H -Imidazole (Histamine Derivatives) Andrea Scozzafava , Bogdan Iorga , Claudiu T. Supuran Journal of Enzyme Inhibition and Medicinal Chemistry, 2000, 15 (2), pp.139-161. ⟨10.1080/14756360009030347⟩ Article dans une revue hal-03161496v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Oncogenic CALR mutant C-terminus mediates dual binding to the thrombopoietin receptor triggering complex dimerization and activation Nicolas Papadopoulos , Audrey Nédélec , Allison Derenne , Teodor Asvadur Şulea , Christian Pecquet , et al. Nature Communications, 2023, 14 (1), pp.1881. ⟨10.1038/s41467-023-37277-3⟩ Article dans une revue hal-04060724v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		SAMPL6: calculation of macroscopic pKa values from ab initio quantum mechanical free energies Edithe Selwa , Ian Kenney , Oliver Beckstein , Bogdan Iorga Journal of Computer-Aided Molecular Design, 2018, 32 (10), pp.1203-1216. ⟨10.1007/s10822-018-0138-6⟩ Article dans une revue hal-02119827v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Ligandbook — an online repository for small and drug-like molecule force field parameters Jan Domański , Oliver Beckstein , Bogdan Iorga Bioinformatics, 2017, 33 (11), pp.1747-1749. ⟨10.1093/bioinformatics/btx037⟩ Article dans une revue hal-02114186v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		2- or 3-imidazolines as carbapenemases inhibitors Kevin Cariou , Robert H. Dodd , Eugenie Romero , Mohamed Benchekroun , Bogdan I. Iorga , et al. France, Patent n° : WO/2018/162670. 2018 Brevet hal-04489573v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Cyclic imine neurotoxins acting on muscarinic and nicotinic acetylcholine receptors Jordi Molgo , Rómulo Aráoz , Bogdan I Iorga , Evelyne Benoit , Armen Zakarian Rossini, G. P. Toxins and biologically active compounds from microalgae. Vol.2, CRC Press, pp.116-146, 2014, Print ISBN: 978-1-4822-3146-5 eBook ISBN: 978-1-4822-3147-2. ⟨10.1201/b16806-7⟩ Chapitre d'ouvrage hal-00994808v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Mutational analysis of the Qi-site proton pathway in yeast cytochrome bc1 complex Zehua Song , Yangfeng Hu , Bogdan I. Iorga , Cindy Vallières , Nicholas Fisher , et al. Biochemical and Biophysical Research Communications, 2020, 523 (3), pp.615-619. ⟨10.1016/j.bbrc.2019.12.102⟩ Article dans une revue hal-02445554v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		The cyclic imine Prorocentrolide-A obtained from cultured Japanese Prorocentrum lima dinoflagellates target muscle- and neuronal-type nicotinic acetylcholine receptors Muriel Amar , Rómulo Aráoz , Bogdan Iorga , Takeshi Yasumoto , Denis Servent , et al. Toxicon, 2018, 149, pp.103-104. ⟨10.1016/j.toxicon.2018.02.029⟩ Article dans une revue hal-03164771v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		The challenge of rapid and precise identification of resistance determinants with low sequence identity to known resistance genes Bogdan Iorga Applied Bioinformatics in Life Sciences (2nd edition), Mar 2018, Louvain, Belgium Poster de conférence hal-04336364v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Automated Analysis of Conformational Flexibility in Small Molecules Using SAMPL7 Physical Properties Challenge Datasets from Alchemical Free Energy Simulations with MDPO Cade Duckworth , Shujie Fan , Alia Lescoulie , Bogdan Iorga , Oliver Beckstein Four Corners Section 2022 Meeting, Oct 2022, Albuquerque (NM), United States Communication dans un congrès hal-04336729v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Conformational and pharmacophoric features within the cyclic imine phycotoxin group R. Aráoz , J. Molgó , Bogdan Iorga Toxicon, 2013, 75, pp.218. ⟨10.1016/j.toxicon.2013.08.036⟩ Article dans une revue istex hal-03161669v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Assay development and high-throughput screening to identify PDE2A activators to treat heart failure Nicolas Claire , Shittl Julia , Pertuiset Claire , Mehel Hind , Courilleau Delphine , et al. Archives of Cardiovascular Diseases Supplements, 2014, 6, pp.43. ⟨10.1016/s1878-6480(14)71379-5⟩ Article dans une revue hal-03161680v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Spiroimine toxins in complex with nicotinic acetylcholine receptors: structure and dynamics Romulo Araoz , Laurent Chabaud , Catherine Guillou , Jordi Molgó , Bogdan Iorga Biophysical Journal, 2011, 100 (3, suppl1), pp.347a. ⟨10.1016/j.bpj.2010.12.2093⟩ Article dans une revue hal-00647637v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Prediction of octanol-water partition coefficients for the SAMPL6-logP molecules using molecular dynamics simulations with OPLS-AA, AMBER and CHARMM force fields Shujie Fan , Bogdan Iorga , Oliver Beckstein Journal of Computer-Aided Molecular Design, 2020, 34 (5), pp.543-560. ⟨10.1007/s10822-019-00267-z⟩ Article dans une revue hal-02566072v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Class C β-Lactamases: Molecular Characteristics Alain Philippon , Guillaume Arlet , Roger Labia , Bogdan Iorga Clinical Microbiology Reviews, 2022, 35 (3), pp.e0015021. ⟨10.1128/cmr.00150-21⟩ Article dans une revue hal-03666203v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Metallo-beta-lactamases in the BLDB Bogdan Iorga 2nd JPIAMR EPIC Alliance Workshop, JPIAMR EPIC Alliance, Jul 2023, Le Kremlin Bicêtre, France Communication dans un congrès hal-04334652v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A molecular plugin rescues GroEL/ES substrates from pre-folding oxidation Emile Dupuy , Sander van der Verren , Jiusheng Lin , Mark Wilson , Alix Dachsbeck , et al. 2022 Pré-publication, Document de travail hal-03806896v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Bêta-lactamases BLSE de type CTX-M Alain Philippon , Guillaume Arlet , Bogdan Iorga Bulletin de l'Académie Vétérinaire de France, 2022, 175, pp.256-265. ⟨10.3406/bavf.2022.71009⟩ Article dans une revue hal-04230554v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Highlights from recent SAMPL participations Hristo Nedev , Shujie Fan , Ian M Kenney , Oliver Beckstein , Bogdan Iorga 16th German Conference on Cheminformatics and SAMPL Satellite Workshop - Virtual Edition, Division Computers in Chemistry (CIC) of the German Chemical Society (GDCh), Nov 2020, Mainz, Germany Communication dans un congrès hal-04335456v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More

Filtrer vos résultats

Exploring the flexibility of Pin1 peptidyl-prolyl isomerase using molecular dynamics simulations

Euphorbia dendroides Latex as Source of Jatrophane Esters: Their Isolation, Structural Analysis, Conformational Study and Anti-CHIKV Activity

The effect of mutation on an aggregation-prone protein: An in vivo, in vitro, and in silico analysis

In silico prediction of β-lactamase hydrolysis efficiency: Finding the right balance between kinetic and thermodynamic terms

Chapter 8. Computational Approaches to Ionotropic Glutamate Receptors

Activation mechanism of carbonic anhydrases explored by molecular dynamics simulations

Evaluation of Clostridium botulinum A5 neurotoxin actions in vivo and ex vivo at the mouse skeletal neuromuscular junction

LMB-1 producing Citrobacter freundii from Argentina, a novel player in the field of MBLs

Optimization of the rapid carbapenem inactivation method for use with AmpC hyperproducers-authors’ response

Controlled monohalogenation of phosphonates Part IV. Selective synthesis of monohalomethylenediphosphonates

Cyanomethylene-bis(phosphonate) as ditopical ligand: stepwise formation of a 2-D heterometallic Fe(III)-Ag(I) coordination network

Carbonic Anhydrase Activators: Synthesis of High Affinity Isozymes I, II and IV Activators, Derivatives of 4-(4-Tosylureido-Amino Acyl)Ethyl-1 H -Imidazole (Histamine Derivatives)

Oncogenic CALR mutant C-terminus mediates dual binding to the thrombopoietin receptor triggering complex dimerization and activation

SAMPL6: calculation of macroscopic pKa values from ab initio quantum mechanical free energies

Ligandbook — an online repository for small and drug-like molecule force field parameters

2- or 3-imidazolines as carbapenemases inhibitors

Cyclic imine neurotoxins acting on muscarinic and nicotinic acetylcholine receptors

Mutational analysis of the Qi-site proton pathway in yeast cytochrome bc1 complex

The cyclic imine Prorocentrolide-A obtained from cultured Japanese Prorocentrum lima dinoflagellates target muscle- and neuronal-type nicotinic acetylcholine receptors

The challenge of rapid and precise identification of resistance determinants with low sequence identity to known resistance genes

Automated Analysis of Conformational Flexibility in Small Molecules Using SAMPL7 Physical Properties Challenge Datasets from Alchemical Free Energy Simulations with MDPO

Conformational and pharmacophoric features within the cyclic imine phycotoxin group

Assay development and high-throughput screening to identify PDE2A activators to treat heart failure

Spiroimine toxins in complex with nicotinic acetylcholine receptors: structure and dynamics

Prediction of octanol-water partition coefficients for the SAMPL6-logP molecules using molecular dynamics simulations with OPLS-AA, AMBER and CHARMM force fields

Class C β-Lactamases: Molecular Characteristics

Metallo-beta-lactamases in the BLDB

A molecular plugin rescues GroEL/ES substrates from pre-folding oxidation

Bêta-lactamases BLSE de type CTX-M

Highlights from recent SAMPL participations