Thérèse E. Malliavin

18 papers Journal 14Unranked 3
YearRankTypeTitle / Venue / Authors
2024 J jnl
Influence of Stereochemistry in a Local Approach for Calculating Protein Conformations.
J. Chem. Inf. Model.
Wagner Rocha, Leo Liberti, Antonio Mucherino, Thérèse E. Malliavin
2021 — conf
A Study on the Covalent Geometry of Proteins and Its Impact on Distance Geometry.
GSI (2)
Simon B. Hengeveld, Mathieu Merabti, Fabien Pascale, Thérèse E. Malliavin
2021 — conf
Exploration of Conformations for an Intrinsically Disordered Protein.
GSI (2)
Shu-Yu Huang, Chi-Fon Chang, Jung-Hsin Lin, Thérèse E. Malliavin
2021 — conf
Pseudo-dihedral Angles in Proteins Providing a New Description of the Ramachandran Map.
GSI (2)
Wagner Rocha, Carlile Lavor, Leo Liberti, Thérèse E. Malliavin
2019 J jnl
Minimal NMR distance information for rigidity of protein graphs.
Discret. Appl. Math.
Carlile Lavor, Leo Liberti, Bruce Randall Donald, Bradley Worley, Benjamin Bardiaux, Thérèse E. Malliavin, Michael Nilges
2019 J jnl
Systematic Exploration of Protein Conformational Space Using a Distance Geometry Approach.
J. Chem. Inf. Model.
Thérèse E. Malliavin, Antonio Mucherino, Carlile Lavor, Leo Liberti
2018 J jnl
Closed-Locked and Apo-Resting State Structures of the Human α7 Nicotinic Receptor: A Computational Study.
J. Chem. Inf. Model.
Letizia Chiodo, Thérèse E. Malliavin, Sergio Giuffrida, Luca Maragliano, Grazia Cottone
2018 J jnl
Tuning interval Branch-and-Prune for protein structure determination.
J. Glob. Optim.
Bradley Worley, Florent Delhommel, Florence Cordier, Thérèse E. Malliavin, Benjamin Bardiaux, Nicolas Wolff, Michael Nilges, Carlile Lavor, Leo Liberti
2016 J jnl
Building Graphs To Describe Dynamics, Kinetics, and Energetics in the d-ALa: d-Lac Ligase VanA.
J. Chem. Inf. Model.
Nathalie Duclert-Savatier, Guillaume Bouvier, Michael Nilges, Thérèse E. Malliavin
2016 J jnl
Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel.
Bioinform.
Isidro Cortes-Ciriano, Gerard J. P. van Westen, Guillaume Bouvier, Michael Nilges, John P. Overington, Andreas Bender, Thérèse E. Malliavin
2015 J jnl
An algorithm to enumerate all possible protein conformations verifying a set of distance constraints.
BMC Bioinform.
Andrea Cassioli, Benjamin Bardiaux, Guillaume Bouvier, Antonio Mucherino, Rafael Alves, Leo Liberti, Michael Nilges, Carlile Lavor, Thérèse E. Malliavin
2015 J jnl
Chemically Aware Model Builder (camb): an R package for property and bioactivity modelling of small molecules.
J. Cheminformatics
Daniel S. Murrell, Isidro Cortes-Ciriano, Gerard J. P. van Westen, Ian Stott, Andreas Bender, Thérèse E. Malliavin, Robert C. Glen
2015 J jnl
Comparing the Influence of Simulated Experimental Errors on 12 Machine Learning Algorithms in Bioactivity Modeling Using 12 Diverse Data Sets.
J. Chem. Inf. Model.
Isidro Cortes-Ciriano, Andreas Bender, Thérèse E. Malliavin
2015 J jnl
Identification of binding sites and favorable ligand binding moieties by virtual screening and self-organizing map analysis.
BMC Bioinform.
Emna Harigua-Souiai, Isidro Cortes-Ciriano, Nathan Desdouits, Thérèse E. Malliavin, Ikram Guizani, Michael Nilges, Arnaud Blondel, Guillaume Bouvier
2015 J jnl
Prediction of the potency of mammalian cyclooxygenase inhibitors with ensemble proteochemometric modeling.
J. Cheminformatics
Isidro Cortes-Ciriano, Daniel S. Murrell, Gerard J. P. van Westen, Andreas Bender, Thérèse E. Malliavin
2014 J jnl
Functional Motions Modulating VanA Ligand Binding Unraveled by Self-Organizing Maps.
J. Chem. Inf. Model.
Guillaume Bouvier, Nathalie Duclert-Savatier, Nathan Desdouits, Djalal Meziane-Cherif, Arnaud Blondel, Patrice Courvalin, Michael Nilges, Thérèse E. Malliavin
2014 J jnl
Proteochemometric modeling in a Bayesian framework.
J. Cheminformatics
Isidro Cortes-Ciriano, Gerard J. P. van Westen, Eelke B. Lenselink, Daniel S. Murrell, Andreas Bender, Thérèse E. Malliavin
2013 — ch.
Distance Geometry in Structural Biology: New Perspectives.
Distance Geometry
Thérèse E. Malliavin, Antonio Mucherino, Michael Nilges