CASD-NMR: critical assessment of automated structure determination by NMR
Rosato, Antonio, Bagaria, Anurag, Baker, David, Bardiaux, Benjamin, Cavalli, Andrea, Doreleijers, Jurgen F, Giachetti, Andrea, Guerry, Paul, Güntert, Peter, Herrmann, Torsten, Huang, Yuanpeng J, Jonker, Hendrik R A, Mao, Binchen, Malliavin, Thérèse E, Montelione, Gaetano T, Nilges, Michael, Raman, Srivatsan, van der Schot, Gijs, Vranken, Wim F, Vuister, Geerten W, Bonvin, Alexandre M J J
Published in Nature methods (01.09.2009)
Published in Nature methods (01.09.2009)
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Blind Testing of Routine, Fully Automated Determination of Protein Structures from NMR Data
Rosato, Antonio, Aramini, James M., Arrowsmith, Cheryl, Bagaria, Anurag, Baker, David, Cavalli, Andrea, Doreleijers, Jurgen F., Eletsky, Alexander, Giachetti, Andrea, Guerry, Paul, Gutmanas, Aleksandras, Güntert, Peter, He, Yunfen, Herrmann, Torsten, Huang, Yuanpeng J., Jaravine, Victor, Jonker, Hendrik R.A., Kennedy, Michael A., Lange, Oliver F., Liu, Gaohua, Malliavin, Thérèse E., Mani, Rajeswari, Mao, Binchen, Montelione, Gaetano T., Nilges, Michael, Rossi, Paolo, van der Schot, Gijs, Schwalbe, Harald, Szyperski, Thomas A., Vendruscolo, Michele, Vernon, Robert, Vranken, Wim F., de Vries, Sjoerd, Vuister, Geerten W., Wu, Bin, Yang, Yunhuang, Bonvin, Alexandre M.J.J.
Published in Structure (London) (08.02.2012)
Published in Structure (London) (08.02.2012)
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Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel
Cortés-Ciriano, Isidro, van Westen, Gerard J P, Bouvier, Guillaume, Nilges, Michael, Overington, John P, Bender, Andreas, Malliavin, Thérèse E
Published in Bioinformatics (01.01.2016)
Published in Bioinformatics (01.01.2016)
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Journal Article
ARIA2: Automated NOE assignment and data integration in NMR structure calculation
Rieping, Wolfgang, Habeck, Michael, Bardiaux, Benjamin, Bernard, Aymeric, Malliavin, Thérèse E., Nilges, Michael
Published in Bioinformatics (01.02.2007)
Published in Bioinformatics (01.02.2007)
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Improving the prediction of organism-level toxicity through integration of chemical, protein target and cytotoxicity qHTS data
Allen, Chad H G, Koutsoukas, Alexios, Cortés-Ciriano, Isidro, Murrell, Daniel S, Malliavin, Thérèse E, Glen, Robert C, Bender, Andreas
Published in Toxicology research (Cambridge) (01.05.2016)
Published in Toxicology research (Cambridge) (01.05.2016)
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Comparing the Influence of Simulated Experimental Errors on 12 Machine Learning Algorithms in Bioactivity Modeling Using 12 Diverse Data Sets
Cortes-Ciriano, Isidro, Bender, Andreas, Malliavin, Thérèse E
Published in Journal of chemical information and modeling (27.07.2015)
Published in Journal of chemical information and modeling (27.07.2015)
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Conformational Space of the Translocation Domain of Botulinum Toxin: Atomistic Modeling and Mesoscopic Description of the Coiled-Coil Helix Bundle
Delort, Alexandre, Cottone, Grazia, Malliavin, Thérèse E, Müller, Martin Michael
Published in International journal of molecular sciences (20.02.2024)
Published in International journal of molecular sciences (20.02.2024)
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Low-resolution description of the conformational space for intrinsically disordered proteins
Förster, Daniel, Idier, Jérôme, Liberti, Leo, Mucherino, Antonio, Lin, Jung-Hsin, Malliavin, Thérèse E.
Published in Scientific reports (09.11.2022)
Published in Scientific reports (09.11.2022)
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New Crystal Form of Human Neuropilin-1 b1 Fragment with Six Electrostatic Mutations Complexed with KDKPPR Peptide Ligand
Goudiaby, Ibrahima, Malliavin, Thérèse E, Mocchetti, Eva, Mathiot, Sandrine, Acherar, Samir, Frochot, Céline, Barberi-Heyob, Muriel, Guillot, Benoît, Favier, Frédérique, Didierjean, Claude, Jelsch, Christian
Published in Molecules (Basel, Switzerland) (01.07.2023)
Published in Molecules (Basel, Switzerland) (01.07.2023)
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Minimal NMR distance information for rigidity of protein graphs
Lavor, Carlile, Liberti, Leo, Donald, Bruce, Worley, Bradley, Bardiaux, Benjamin, Malliavin, Thérèse E., Nilges, Michael
Published in Discrete Applied Mathematics (15.03.2019)
Published in Discrete Applied Mathematics (15.03.2019)
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Improved reliability, accuracy and quality in automated NMR structure calculation with ARIA
Mareuil, Fabien, Malliavin, Thérèse E., Nilges, Michael, Bardiaux, Benjamin
Published in Journal of biomolecular NMR (01.08.2015)
Published in Journal of biomolecular NMR (01.08.2015)
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Journal Article
Conformational sampling of CpxA: Connecting HAMP motions to the histidine kinase function
Duclert-Savatier, Nathalie, Bouvier, Guillaume, Nilges, Michael, Malliavin, Thérèse E
Published in PloS one (29.11.2018)
Published in PloS one (29.11.2018)
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Temperature-accelerated molecular dynamics gives insights into globular conformations sampled in the free state of the AC catalytic domain
Selwa, Edithe, Huynh, Tru, Ciccotti, Giovanni, Maragliano, Luca, Malliavin, Thérèse E.
Published in Proteins, structure, function, and bioinformatics (01.10.2014)
Published in Proteins, structure, function, and bioinformatics (01.10.2014)
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Journal Article
Stability of the I-motif Structure Is Related to the Interactions between Phosphodiester Backbones
Malliavin, Thérèse E., Gau, Jocelyne, Snoussi, Karim, Leroy, Jean-Louis
Published in Biophysical journal (01.06.2003)
Published in Biophysical journal (01.06.2003)
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Journal Article
An algorithm to enumerate all possible protein conformations verifying a set of distance constraints
Cassioli, Andrea, Bardiaux, Benjamin, Bouvier, Guillaume, Mucherino, Antonio, Alves, Rafael, Liberti, Leo, Nilges, Michael, Lavor, Carlile, Malliavin, Thérèse E
Published in BMC bioinformatics (28.01.2015)
Published in BMC bioinformatics (28.01.2015)
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