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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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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Journal Article
Genomic insights into the 2016-2017 cholera epidemic in Yemen
Weill, François-Xavier, Domman, Daryl, Njamkepo, Elisabeth, Almesbahi, Abdullrahman A, Naji, Mona, Nasher, Samar Saeed, Rakesh, Ankur, Assiri, Abdullah M, Sharma, Naresh Chand, Kariuki, Samuel, Pourshafie, Mohammad Reza, Rauzier, Jean, Abubakar, Abdinasir, Carter, Jane Y, Wamala, Joseph F, Seguin, Caroline, Bouchier, Christiane, Malliavin, Thérèse, Bakhshi, Bita, Abulmaali, Hayder H N, Kumar, Dhirendra, Njoroge, Samuel M, Malik, Mamunur Rahman, Kiiru, John, Luquero, Francisco J, Azman, Andrew S, Ramamurthy, Thandavarayan, Thomson, Nicholas R, Quilici, Marie-Laure
Published in Nature (London) (01.01.2019)
Published in Nature (London) (01.01.2019)
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Journal Article
A Structural Model of the Human α7 Nicotinic Receptor in an Open Conformation
Chiodo, Letizia, Malliavin, Thérèse E, Maragliano, Luca, Cottone, Grazia, Ciccotti, Giovanni
Published in PloS one (24.07.2015)
Published in PloS one (24.07.2015)
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Journal Article
Functional Motions Modulating VanA Ligand Binding Unraveled by Self-Organizing Maps
Bouvier, Guillaume, Duclert-Savatier, Nathalie, Desdouits, Nathan, Meziane-Cherif, Djalal, Blondel, Arnaud, Courvalin, Patrice, Nilges, Michael, Malliavin, Thérèse E
Published in Journal of chemical information and modeling (27.01.2014)
Published in Journal of chemical information and modeling (27.01.2014)
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Journal Article
Identification of Cinnamic Acid Derivatives As Novel Antagonists of the Prokaryotic Proton-Gated Ion Channel GLIC
Prevost, Marie S, Delarue-Cochin, Sandrine, Marteaux, Justine, Colas, Claire, Van Renterghem, Catherine, Blondel, Arnaud, Malliavin, Thérèse, Corringer, Pierre-Jean, Joseph, Delphine
Published in Journal of medicinal chemistry (13.06.2013)
Published in Journal of medicinal chemistry (13.06.2013)
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Journal Article
Structural biology by NMR: structure, dynamics, and interactions
Markwick, Phineus R L, Malliavin, Thérèse, Nilges, Michael
Published in PLoS computational biology (01.09.2008)
Published in PLoS computational biology (01.09.2008)
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Journal Article
3D Structure Determination of the Crh Protein from Highly Ambiguous Solid-State NMR Restraints
Loquet, Antoine, Bardiaux, Benjamin, Gardiennet, Carole, Blanchet, Christophe, Baldus, Marc, Nilges, Michael, Malliavin, Thérèse, Böckmann, Anja
Published in Journal of the American Chemical Society (19.03.2008)
Published in Journal of the American Chemical Society (19.03.2008)
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Journal Article
Prediction of PARP Inhibition with Proteochemometric Modelling and Conformal Prediction
Cortés-Ciriano, Isidro, Bender, Andreas, Malliavin, Thérèse
Published in Molecular informatics (01.06.2015)
Published in Molecular informatics (01.06.2015)
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Journal Article
Proteochemometric modeling in a Bayesian framework
Cortes-Ciriano, Isidro, van Westen, Gerard JP, Lenselink, Eelke Bart, Murrell, Daniel S, Bender, Andreas, Malliavin, Thérèse
Published in Journal of cheminformatics (28.06.2014)
Published in Journal of cheminformatics (28.06.2014)
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Journal Article
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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Journal Article
Accurate NMR Structures Through Minimization of an Extended Hybrid Energy
Nilges, Michael, Bernard, Aymeric, Bardiaux, Benjamin, Malliavin, Thérèse, Habeck, Michael, Rieping, Wolfgang
Published in Structure (London) (10.09.2008)
Published in Structure (London) (10.09.2008)
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Journal Article
Mechanism of reactant and product dissociation from the anthrax edema factor: A locally enhanced sampling and steered molecular dynamics study
Martínez, Leandro, Malliavin, Thérèse E., Blondel, Arnaud
Published in Proteins, structure, function, and bioinformatics (01.05.2011)
Published in Proteins, structure, function, and bioinformatics (01.05.2011)
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Journal Article