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	Pour les 47 documents Envoyer sur ORCID RSS ATOM Exporter BibTeX XML-TEI CSV RTF EndNote PDF HTML Export avancé	Page : Page précédente 1 2 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

		Computational modelling elucidates the mechanism of ciliary regulation in health and disease. Nikolay V. Kotov , Declan G. Bates , Antonina N. Gizatullina , Bulat Gilaziev , Rustem N. Khairullin , et al. BMC Systems Biology, 2011, 5 (NC), pp.143. ⟨10.1186/1752-0509-5-143⟩ Article dans une revue hal-00764446v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Solvation and stabilization of palladium nanoparticles in phosphonium-based ionic liquids: a combined infrared spectroscopic and density functional theory study. Elena E Zvereva , Stefan Grimme , Sergey A Katsyuba , Vadim V Ermolaev , Daria A Arkhipova , et al. Physical Chemistry Chemical Physics, 2014, 16 (38), pp.20672-80. ⟨10.1039/c4cp02547d⟩ Article dans une revue hal-01079150v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		The Mechanism of Citryl-Coenzyme A Formation Catalyzed by Citrate Synthase Alexey Aleksandrov , Elena Zvereva , Martin J Field Journal of Physical Chemistry B, 2014, 118 (17), pp.4505-4513. ⟨10.1021/jp412346g⟩ Article dans une revue hal-00998107v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Catalytic mechanism of fatty acid photodecarboxylase: on the detection and stability of the initial carbonyloxy radical intermediate Alexey Aleksandrov , Adeline Bonvalet , Pavel Müller , Damien Sorigué , Fred Beisson , et al. Angewandte Chemie International Edition, In press, ⟨10.1002/anie.202401376⟩ Article dans une revue hal-04500852v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A hybrid elastic band string algorithm for studies of enzymatic reactions Alexey Aleksandrov , Martin J Field Physical Chemistry Chemical Physics, 2012, 14 (36), pp.12544. ⟨10.1039/c2cp40918f⟩ Article dans une revue hal-00764439v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Sampling the conformational energy landscape of a hyperthermophilic protein by engineering key substitutions. Jacques-Philippe Colletier , Alexey Aleksandrov , Nicolas Coquelle , S. Mraihi , E. Mendoza-Barber , et al. Molecular Biology and Evolution, 2012, 29 (6), pp.1683-94. ⟨10.1093/molbev/mss015⟩ Article dans une revue hal-00764440v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Predicting the acid/base behavior of proteins: a constant-pH Monte Carlo approach with generalized born solvent. Alexey Aleksandrov , Savvas Polydorides , Georgios Archontis , Thomas Simonson Journal of Physical Chemistry B, 2010, 114 (32), pp.10634-48. ⟨10.1021/jp104406x⟩ Article dans une revue hal-00765893v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Mechanism of activation of elongation factor Tu by ribosome: Catalytic histidine activates GTP by protonation. Alexey Aleksandrov , Martin J Field RNA, 2013, 19 (9), pp.1218-25. ⟨10.1261/rna.040097.113⟩ Article dans une revue hal-00866971v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Molecular mechanics models for tetracycline analogs. Alexey Aleksandrov , Thomas Simonson Journal of Computational Chemistry, 2009, 30 (2), pp.243-55. ⟨10.1002/jcc.21040⟩ Article dans une revue hal-00488185v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A molecular mechanics model for imatinib and imatinib:kinase binding. Alexey Aleksandrov , Thomas Simonson Journal of Computational Chemistry, 2010, 31 (7), pp.1550-60. ⟨10.1002/jcc.21442⟩ Article dans une revue istex hal-00488180v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		300-Fold increase in production of the Zn2+-dependent dechlorinase TrzN in soluble form via apoenzyme stabilization. Colin J Jackson , Christopher W Coppin , Paul D Carr , Alexey Aleksandrov , Matthew Wilding , et al. Applied and Environmental Microbiology, 2014, 80 (13), pp.4003-11 Article dans une revue hal-01131260v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2 Etienne Dubiez , Alexey Aleksandrov , Christine Lazennec-Schurdevin , Yves Mechulam , Emmanuelle Schmitt Nucleic Acids Research, 2015, 43 (5), pp.2946-2957. ⟨10.1093/nar/gkv053⟩ Article dans une revue hal-01223323v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		A Molecular Mechanics Model for Flavins Alexey Aleksandrov Journal of Computational Chemistry, 2019, 40 (32), pp.2834-2842. ⟨10.1002/jcc.26061⟩ Article dans une revue hal-02406663v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Additive CHARMM36 Force Field for Nonstandard Amino Acids Anastasia Croitoru , Sang-Jun Park , Anmol Kumar , Jumin Lee , Wonpil Im , et al. Journal of Chemical Theory and Computation, 2021, 17 (6), pp.3554-3570. ⟨10.1021/acs.jctc.1c00254⟩ Article dans une revue hal-03363116v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Characterization of Light-Induced, Short-Lived Interacting Radicals in the Active Site of Flavoprotein Ferredoxin-NADP + Oxidoreductase Bo Zhuang , Daisuke Seo , Alexey Aleksandrov , Marten H. Vos Journal of the American Chemical Society, 2021, 143 (7), pp.2757-2768. ⟨10.1021/jacs.0c09627⟩ Article dans une revue hal-03154805v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Binding of tetracyclines to elongation factor Tu, the Tet repressor, and the ribosome: a molecular dynamics simulation study. Thomas Simonson , Alexey Aleksandrov Biochemistry, 2008, 47 (51), pp.13594-603. ⟨10.1021/bi801726q⟩ Article dans une revue istex hal-00488186v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		The structure of an E. coli tRNA f Met A 1-U 72 variant shows an unusual conformation of the A 1-U 72 base pair Auriane Monestier , Alexey Aleksandrov , Pierre-Damien Coureux , Michel Panvert , Yves Mechulam , et al. RNA, 2017, 23 (5), pp.673-682. ⟨10.1261/rna.057877.116⟩ Article dans une revue hal-01961641v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Tetracycline-tet repressor binding specificity: insights from experiments and simulations. Alexey Aleksandrov , Linda Schuldt , Winfried Hinrichs , Thomas Simonson Biophysical Journal, 2009, 97 (10), pp.2829-38. ⟨10.1016/j.bpj.2009.08.050⟩ Article dans une revue hal-00488184v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Molecular dynamics simulations show that conformational selection governs the binding preferences of imatinib for several tyrosine kinases. Alexey Aleksandrov , Thomas Simonson Journal of Biological Chemistry, 2010, 285 (18), pp.13807-15. ⟨10.1074/jbc.M110.109660⟩ Article dans une revue hal-00488176v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Advances and challenges in drug design against tuberculosis: application of in silico approaches Alexey Aleksandrov , Hannu Myllykallio Expert Opinion on Drug Discovery, 2018, pp.1 - 12. ⟨10.1080/17460441.2019.1550482⟩ Article dans une revue hal-01937463v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Insights into molecular plasticity in protein complexes from Trm9-Trm112 tRNA modifying enzyme crystal structure Juliette Létoquart , Nhan van Tran , Vonny Caroline , Alexey Aleksandrov , Noureddine Lazar , et al. Nucleic Acids Research, 2015, 43 (22), pp.10989-11002. ⟨10.1093/nar/gkv1009⟩ Article dans une revue hal-01303131v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Alchemical free energy simulations for biological complexes: powerful but temperamental.... Alexey Aleksandrov , Damien Thompson , Thomas Simonson Journal of Molecular Recognition, 2010, 23 (2), pp.117-27. ⟨10.1002/jmr.980⟩ Article dans une revue istex hal-00488179v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Tet repressor induction by tetracycline: a molecular dynamics, continuum electrostatics, and crystallographic study. Alexey Aleksandrov , L. Schuldt , Winfried Hinrichs , Thomas Simonson Journal of Molecular Biology, 2008, 378 (4), pp.898-912. ⟨10.1016/j.jmb.2008.03.022⟩ Article dans une revue istex hal-00488187v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Additive CHARMM force field for naturally occurring modified ribonucleotides You Xu , Kenno Vanommeslaeghe , Alexey Aleksandrov , Alexander D. Mackerell , Lennart Nilsson Journal of Computational Chemistry, 2016, 37 (10), pp.896-912. ⟨10.1002/jcc.24307⟩ Article dans une revue hal-01315145v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Molecular dynamics simulations of the 30S ribosomal subunit reveal a preferred tetracycline binding site. Alexey Aleksandrov , Thomas Simonson Journal of the American Chemical Society, 2008, 130 (4), pp.1114-5 Article dans une revue hal-00488188v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Parametrization of Force Field Bonded Terms under Structural Inconsistency Anastasia Croitoru , Alexey Aleksandrov Journal of Chemical Information and Modeling, 2022, pp.4471-4482. ⟨10.1021/acs.jcim.2c00950⟩ Article dans une revue hal-03779485v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Cyclodipeptide synthases of the NYH subfamily recognize tRNA using an α-helix enriched with positive residues Anastasia Croitoru , Morgan Babin , Hannu Myllykallio , Muriel Gondry , Alexey Aleksandrov Biochemistry, 2021, 60 (1), pp.64-76. ⟨10.1021/acs.biochem.0c00761⟩ Article dans une revue hal-03084339v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Autocatalytic effect boosts the production of medium-chain hydrocarbons by fatty acid photodecarboxylase Poutoum Samire , Bo Zhuang , Bertrand Légeret , Ángel Baca-Porcel , Gilles Peltier , et al. Science Advances , 2023, 9 (13), ⟨10.1126/sciadv.adg3881⟩ Article dans une revue hal-04055084v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		The tetracycline: Mg2+ complex: a molecular mechanics force field. Alexey Aleksandrov , T. Simonson Journal of Computational Chemistry, 2006, 27 (13), pp.1517-33. ⟨10.1002/jcc.20453⟩ Article dans une revue istex hal-00770117v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Protonation patterns in tetracycline:tet repressor recognition: simulations and experiments. Alexey Aleksandrov , Juliane Proft , Winfried Hinrichs , Thomas Simonson ChemBioChem, 2007, 8 (6), pp.675-85. ⟨10.1002/cbic.200600535⟩ Article dans une revue istex hal-00488201v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More

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Computational modelling elucidates the mechanism of ciliary regulation in health and disease.

Solvation and stabilization of palladium nanoparticles in phosphonium-based ionic liquids: a combined infrared spectroscopic and density functional theory study.

The Mechanism of Citryl-Coenzyme A Formation Catalyzed by Citrate Synthase

Catalytic mechanism of fatty acid photodecarboxylase: on the detection and stability of the initial carbonyloxy radical intermediate

A hybrid elastic band string algorithm for studies of enzymatic reactions

Sampling the conformational energy landscape of a hyperthermophilic protein by engineering key substitutions.

Predicting the acid/base behavior of proteins: a constant-pH Monte Carlo approach with generalized born solvent.

Mechanism of activation of elongation factor Tu by ribosome: Catalytic histidine activates GTP by protonation.

Molecular mechanics models for tetracycline analogs.

A molecular mechanics model for imatinib and imatinib:kinase binding.

300-Fold increase in production of the Zn2+-dependent dechlorinase TrzN in soluble form via apoenzyme stabilization.

Identification of a second GTP-bound magnesium ion in archaeal initiation factor 2

A Molecular Mechanics Model for Flavins

Additive CHARMM36 Force Field for Nonstandard Amino Acids

Characterization of Light-Induced, Short-Lived Interacting Radicals in the Active Site of Flavoprotein Ferredoxin-NADP + Oxidoreductase

Binding of tetracyclines to elongation factor Tu, the Tet repressor, and the ribosome: a molecular dynamics simulation study.

The structure of an E. coli tRNA f Met A 1-U 72 variant shows an unusual conformation of the A 1-U 72 base pair

Tetracycline-tet repressor binding specificity: insights from experiments and simulations.

Molecular dynamics simulations show that conformational selection governs the binding preferences of imatinib for several tyrosine kinases.

Advances and challenges in drug design against tuberculosis: application of in silico approaches

Insights into molecular plasticity in protein complexes from Trm9-Trm112 tRNA modifying enzyme crystal structure

Alchemical free energy simulations for biological complexes: powerful but temperamental....

Tet repressor induction by tetracycline: a molecular dynamics, continuum electrostatics, and crystallographic study.

Additive CHARMM force field for naturally occurring modified ribonucleotides

Molecular dynamics simulations of the 30S ribosomal subunit reveal a preferred tetracycline binding site.

Parametrization of Force Field Bonded Terms under Structural Inconsistency

Cyclodipeptide synthases of the NYH subfamily recognize tRNA using an α-helix enriched with positive residues

Autocatalytic effect boosts the production of medium-chain hydrocarbons by fatty acid photodecarboxylase

The tetracycline: Mg2+ complex: a molecular mechanics force field.

Protonation patterns in tetracycline:tet repressor recognition: simulations and experiments.