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1Academic Journal
المؤلفون: Daniel Förster, Jérôme Idier, Leo Liberti, Antonio Mucherino, Jung-Hsin Lin, Thérèse E. Malliavin
المصدر: Scientific Reports, Vol 12, Iss 1, Pp 1-16 (2022)
وصف الملف: electronic resource
Relation: https://doaj.org/toc/2045-2322
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2Academic Journal
المؤلفون: Thérèse E. Malliavin
المصدر: Scientific Reports, Vol 11, Iss 1, Pp 1-12 (2021)
وصف الملف: electronic resource
Relation: https://doaj.org/toc/2045-2322
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3Academic Journal
المؤلفون: Ibrahima Goudiaby, Thérèse E. Malliavin, Eva Mocchetti, Sandrine Mathiot, Samir Acherar, Céline Frochot, Muriel Barberi-Heyob, Benoît Guillot, Frédérique Favier, Claude Didierjean, Christian Jelsch
المصدر: Molecules, Vol 28, Iss 14, p 5603 (2023)
مصطلحات موضوعية: Neuropilin 1, variant, ligand, X-ray crystallography, molecular dynamics simulation, Hirshfeld interface, Organic chemistry, QD241-441
وصف الملف: electronic resource
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4Academic Journal
المؤلفون: Grazia Cottone, Letizia Chiodo, Luca Maragliano, Michel-Robert Popoff, Christine Rasetti-Escargueil, Emmanuel Lemichez, Thérèse E. Malliavin
المصدر: Toxins, Vol 14, Iss 9, p 644 (2022)
مصطلحات موضوعية: Clostridium botulinum, botulinum toxin, molecular dynamics, residue protonation, homology modeling, Medicine
وصف الملف: electronic resource
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5Academic Journal
المصدر: Frontiers in Molecular Biosciences, Vol 7 (2020)
مصطلحات موضوعية: protein-protein interaction, Bacillus anthracis, virulence factor, Cavity detection, allostery, Biology (General), QH301-705.5
وصف الملف: electronic resource
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6Academic Journal
المساهمون: Alexandre Delort, Grazia Cottone, Thérèse E. Malliavin, Martin Michael Müller
مصطلحات موضوعية: Clostridium botulinum, botulinum toxin, molecular dynamic, residue protonation, mesoscopic Twister model, hydrophobicity, water–ethanol solvent, Settore FIS/07 - Fisica Applicata(Beni Culturali, Ambientali, Biol.e Medicin)
Relation: info:eu-repo/semantics/altIdentifier/pmid/38473729; volume:25; firstpage:2481; numberofpages:19; journal:INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES; https://hdl.handle.net/10447/624845; info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-85187425542
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7Academic Journal
المؤلفون: Thérèse E. Malliavin
مصطلحات موضوعية: Escherichia coli, CNF1, deamidase, X-Pro imide bond, peptidyl prolyl cis-trans isomerization, molecular dynamics, peptide docking
Relation: https://doi.org/10.5281/zenodo.5513048; https://doi.org/10.5281/zenodo.5513049; oai:zenodo.org:5513049
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8Academic Journal
المؤلفون: Eléa Paillares, Maud Marechal, Léa Swistak, Landry Tsoumtsa Meda, Emmanuel Lemichez, Thérèse E. Malliavin
المصدر: International Journal of Molecular Sciences; Volume 22; Issue 18; Pages: 10129
مصطلحات موضوعية: Escherichia coli, CNF1, deamidase, X-Pro imide bond, peptidyl prolyl cis - trans isomerization, molecular dynamics, peptide docking
جغرافية الموضوع: agris
وصف الملف: application/pdf
Relation: Biochemistry; https://dx.doi.org/10.3390/ijms221810129
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9Academic Journal
المؤلفون: Irène Pitard, Thérèse E Malliavin
المصدر: Toxins; Volume 11; Issue 6; Pages: 369
مصطلحات موضوعية: anthrax, botulinium toxin, diphtheria toxin, bordetella pertussis, adenylyl cyclase, molecular modeling, enhanced sampling, drug design, calmodulin
جغرافية الموضوع: agris
وصف الملف: application/pdf
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10Academic Journal
المصدر: PLoS ONE, Vol 13, Iss 11, p e0207899 (2018)
Relation: https://doi.org/10.1371/journal.pone.0207899; https://doaj.org/toc/1932-6203; https://doaj.org/article/26af95fe114340789293bc0c498d9c2c
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11
المؤلفون: Grazia Cottone, Letizia Chiodo, Luca Maragliano, Michel-Robert Popoff, Christine Rasetti-Escargueil, Emmanuel Lemichez, Thérèse E. Malliavin
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12Academic JournalMolecular Modeling of the Catalytic Domain of CyaA Deepened the Knowledge of Its Functional Dynamics
المؤلفون: Thérèse E Malliavin
المصدر: Toxins, Vol 9, Iss 7, p 199 (2017)
مصطلحات موضوعية: Bordetella pertussis, adenyl cyclase, molecular dynamics simulation, enhanced sampling, virtual screening, thiophen ureoacids, Medicine
Relation: http://www.mdpi.com/2072-6651/9/7/199; https://doaj.org/toc/2072-6651; https://doaj.org/article/1cd077354d0a4639b50f674e6ef3e1e4
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13
المؤلفون: Aracelys López-Castilla, Olivera Francetic, Yasaman Karami, Thérèse E. Malliavin, Benjamin Bardiaux, Michael Nilges, Jenny-Lee Thomassin, Andrea Ori, Nadia Izadi-Pruneyre
المساهمون: Bioinformatique structurale - Structural Bioinformatics, Institut Pasteur [Paris]-Centre National de la Recherche Scientifique (CNRS), Résonance Magnétique Nucléaire des Biomolécules, Biochimie des Interactions Macromoléculaires / Biochemistry of Macromolecular Interactions, This work was funded by the Institut Pasteur, the Centre National de la Recherche Scientifique, the Fondation pour la Recherche Medicale (Equipe FRM 2017M.DEQ20170839114 to Y.K., A.C.L., N.I.P., and M.N.), the French Agence Nationale de la Recherche (grant ANR-19-CE11-0020 to O.F., N.I.P., and M.N.), the Institut Pasteur Roux-Cantarini fellowship and NSERC grant (to J.L.T.), Fulbright fellowship (to A.O.). Y.K. acknowledges the PRACE for awarding access to Piz Daint at CSCS, Switzerland., Biochimie des Interactions Macromoléculaires, This work was funded by the Institut Pasteur, the Centre National de la Recherche Scientifique, the Fondation pour la Recherche Medicale (Equipe FRM 2017M.DEQ20170839114 to YK, ACL, NIP and MN), the French Agence Nationale de la Recherche (grant ANR-19-CE11-0020 to OF, NIP and MN), the Institut Pasteur Roux- Cantarini fellowship and NSERC grant (to JLT), Fulbright fellowship (to AO). YK would like to acknowledge the PRACE for awarding access to Piz Daint at CSCS, Switzerland., ANR-19-CE11-0020,SYNERGY_T2SS,Structure et fonction moléculaire du pseudopilus dans la sécrétion de protéines par lla voiè de type 2(2019), Institut Pasteur [Paris] (IP)-Centre National de la Recherche Scientifique (CNRS)-Université Paris Cité (UPCité), Institut Pasteur [Paris] (IP)-Centre National de la Recherche Scientifique (CNRS)
المصدر: Structure
Structure, Elsevier (Cell Press), 2021, 29, pp.1-13. ⟨10.1016/j.str.2021.07.008⟩
Structure, 2021, 29, pp.1-13. ⟨10.1016/j.str.2021.07.008⟩مصطلحات موضوعية: Pilus assembly, Virulence, Mutagenesis (molecular biology technique), calcium binding, Molecular Dynamics Simulation, 010402 general chemistry, medicine.disease_cause, 01 natural sciences, pilus dynamics, Pilus, 03 medical and health sciences, Molecular dynamics, pilus stability, MESH: New Zealand, medicine, Escherichia coli, Type IV pili, Binding site, 030304 developmental biology, 0303 health sciences, Binding Sites, MESH: Humans, biology, Chemistry, Cryoelectron Microscopy, [SDV.BBM.BM]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Molecular biology, [INFO.INFO-MO]Computer Science [cs]/Modeling and Simulation, molecular dynamics, 0104 chemical sciences, [SDV.BBM.BP]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Biophysics, MESH: Drug Industry, Enterohemorrhagic Escherichia coli, Fimbriae, Bacterial, Pilin, biology.protein, Biophysics, EHEC, Fimbriae Proteins, MESH: Contraceptives, Oral, Hormonal, MESH: Female
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14Academic Journal
المصدر: PLoS ONE, Vol 10, Iss 7, p e0133011 (2015)
Relation: http://europepmc.org/articles/PMC4514475?pdf=render; https://doaj.org/toc/1932-6203; https://doaj.org/article/7ac81325044b49cfb52fc53200f822a0
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15Academic Journal
المؤلفون: Isidro Cortes-ciriano, Daniel S. Murrell, Gerard J. P. Van Westen, Ian P. Stott, Andreas Bender, Therese E. Malliavin, Robert C. Glen
المساهمون: The Pennsylvania State University CiteSeerX Archives
وصف الملف: application/pdf
Relation: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.698.603; http://www.jcheminf.com/content/download/supplementary/s13321-015-0086-2-s2.pdf
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16Academic Journal
المؤلفون: Daniel S. Murrell, Isidro Cortes-ciriano, Gerard J. P. Van Westen, Ian P. Stott, Andreas Bender, Therese E. Malliavin, Robert C. Glen
المساهمون: The Pennsylvania State University CiteSeerX Archives
وصف الملف: application/pdf
Relation: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.698.2642; http://www.jcheminf.com/content/download/supplementary/s13321-015-0086-2-s1.pdf
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17
المصدر: Frontiers in Molecular Biosciences
مصطلحات موضوعية: protein-protein interaction, allostery, Bacillus anthracis, Cavity detection, Molecular Biosciences, virulence factor, Original Research
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18Academic Journal
المؤلفون: Benjamin Bardiaux, Aymeric Bernard, Wolfgang Rieping, Michael Habeck, Thérèse E Malliavin, Michael Nilges
المساهمون: The Pennsylvania State University CiteSeerX Archives
وصف الملف: application/pdf
Relation: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.219.2255; http://www.biomedcentral.com/content/pdf/1472-6807-8-30.pdf
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19Academic Journal
المؤلفون: Wolfgang Rieping, Michael Habeck, Benjamin Bardiaux, Aymeric Bernard, Thérèse E. Malliavin, Michael Nilges, Dmitrij Frishman
المساهمون: The Pennsylvania State University CiteSeerX Archives
وصف الملف: application/pdf
Relation: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.625.7473; http://bioinformatics.oxfordjournals.org/content/23/3/381.full.pdf
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20Academic Journal
المؤلفون: Aria Automated Noe Assignment, Data Integration, Wolfgang Rieping, Michael Habeck, Benjamin Bardiaux, Aymeric Bernard, Thérèse E. Malliavin, Michael Nilges, Dmitrij Frishman
المساهمون: The Pennsylvania State University CiteSeerX Archives
وصف الملف: application/pdf
Relation: http://citeseerx.ist.psu.edu/viewdoc/summary?doi=10.1.1.112.6372; http://www.cs.uga.edu/~shravya/papers/ARIA2.pdf