Therese E. Malliavin

According to our database, Therese E. Malliavin authored at least 27 papers between 1998 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2024

Impact of Local Geometry on Methods for Constructing Protein Conformations.

Wagner Rocha, Therese E. Malliavin, Antonio Mucherino, Leo Liberti

Proceedings of the 19th Conference on Computer Science and Intelligence Systems, 2024

2021

Pseudo-dihedral Angles in Proteins Providing a New Description of the Ramachandran Map.

Wagner Rocha, Carlile Lavor, Leo Liberti, Thérèse E. Malliavin

Proceedings of the Geometric Science of Information - 6th International Conference, 2021

Exploration of Conformations for an Intrinsically Disordered Protein.

Shu-Yu Huang, Chi-Fon Chang, Jung-Hsin Lin, Thérèse E. Malliavin

Proceedings of the Geometric Science of Information - 6th International Conference, 2021

A Study on the Covalent Geometry of Proteins and Its Impact on Distance Geometry.

Simon B. Hengeveld, Mathieu Merabti, Fabien Pascale, Thérèse E. Malliavin

Proceedings of the Geometric Science of Information - 6th International Conference, 2021

A study on the impact of the distance types involved in protein structure determination by NMR.

Simon B. Hengeveld, Therese E. Malliavin, J. H. Lin, Leo Liberti, Antonio Mucherino

Proceedings of the IEEE International Conference on Bioinformatics and Biomedicine, 2021

2019

Systematic Exploration of Protein Conformational Space Using a Distance Geometry Approach.

Thérèse E. Malliavin, Antonio Mucherino, Carlile Lavor, Leo Liberti

J. Chem. Inf. Model., 2019

Minimal NMR distance information for rigidity of protein graphs.

Carlile Lavor, Leo Liberti, Bruce Randall Donald, Bradley Worley, Benjamin Bardiaux, Thérèse E. Malliavin, Michael Nilges

Discret. Appl. Math., 2019

2018

Tuning interval Branch-and-Prune for protein structure determination.

Bradley Worley, Florent Delhommel, Florence Cordier, Thérèse E. Malliavin, Benjamin Bardiaux, Nicolas Wolff, Michael Nilges, Carlile Lavor, Leo Liberti

J. Glob. Optim., 2018

Closed-Locked and Apo-Resting State Structures of the Human α7 Nicotinic Receptor: A Computational Study.

Letizia Chiodo, Thérèse E. Malliavin, Sergio Giuffrida, Luca Maragliano, Grazia Cottone

J. Chem. Inf. Model., 2018

2016

Building Graphs To Describe Dynamics, Kinetics, and Energetics in the d-ALa: d-Lac Ligase VanA.

Nathalie Duclert-Savatier, Guillaume Bouvier, Michael Nilges, Thérèse E. Malliavin

J. Chem. Inf. Model., 2016

Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel.

Isidro Cortes-Ciriano, Gerard J. P. van Westen, Guillaume Bouvier, Michael Nilges, John P. Overington, Andreas Bender, Thérèse E. Malliavin

Bioinform., 2016

2015

Comparing the Influence of Simulated Experimental Errors on 12 Machine Learning Algorithms in Bioactivity Modeling Using 12 Diverse Data Sets.

Isidro Cortes-Ciriano, Andreas Bender, Thérèse E. Malliavin

J. Chem. Inf. Model., 2015

Proteochemometric modelling coupled to in silico target prediction: an integrated approach for the simultaneous prediction of polypharmacology and binding affinity/potency of small molecules.

Shardul Paricharak, Isidro Cortes-Ciriano, Adriaan P. IJzerman, Therese E. Malliavin, Andreas Bender

J. Cheminformatics, 2015

Chemically Aware Model Builder (camb): an R package for property and bioactivity modelling of small molecules.

Daniel S. Murrell, Isidro Cortes-Ciriano, Gerard J. P. van Westen, Ian Stott, Andreas Bender, Thérèse E. Malliavin, Robert C. Glen

J. Cheminformatics, 2015

Prediction of the potency of mammalian cyclooxygenase inhibitors with ensemble proteochemometric modeling.

Isidro Cortes-Ciriano, Daniel S. Murrell, Gerard J. P. van Westen, Andreas Bender, Thérèse E. Malliavin

J. Cheminformatics, 2015

Identification of binding sites and favorable ligand binding moieties by virtual screening and self-organizing map analysis.

Emna Harigua-Souiai, Isidro Cortes-Ciriano, Nathan Desdouits, Thérèse E. Malliavin, Ikram Guizani, Michael Nilges, Arnaud Blondel, Guillaume Bouvier

BMC Bioinform., 2015

Applications of proteochemometrics - from species extrapolation to cell line sensitivity modelling.

Isidro Cortes-Ciriano, Gerard J. P. van Westen, Daniel S. Murrell, Eelke B. Lenselink, Andreas Bender, Therese E. Malliavin

BMC Bioinform., 2015

An algorithm to enumerate all possible protein conformations verifying a set of distance constraints.

Andrea Cassioli, Benjamin Bardiaux, Guillaume Bouvier, Antonio Mucherino, Rafael Alves, Leo Liberti, Michael Nilges, Carlile Lavor, Thérèse E. Malliavin

BMC Bioinform., 2015

2014

Functional Motions Modulating VanA Ligand Binding Unraveled by Self-Organizing Maps.

Guillaume Bouvier, Nathalie Duclert-Savatier, Nathan Desdouits, Djalal Meziane-Cherif, Arnaud Blondel, Patrice Courvalin, Michael Nilges, Thérèse E. Malliavin

J. Chem. Inf. Model., 2014

Proteochemometric modeling in a Bayesian framework.

Isidro Cortes-Ciriano, Gerard J. P. van Westen, Eelke B. Lenselink, Daniel S. Murrell, Andreas Bender, Thérèse E. Malliavin

J. Cheminformatics, 2014

2013

Distance Geometry in Structural Biology: New Perspectives.

Thérèse E. Malliavin, Antonio Mucherino, Michael Nilges

Proceedings of the Distance Geometry: Theory, Methods, and Applications, 2013

2011

Grid computing for improving conformational sampling in NMR structure calculation.

Fabien Mareuil, Christophe Blanchet, Therese E. Malliavin, Michael Nilges

Bioinform., 2011

Influence of Pruning Devices on the Solution of Molecular Distance Geometry Problems.

Antonio Mucherino, Carlile Lavor, Therese E. Malliavin, Leo Liberti, Michael Nilges, Nelson Maculan

Proceedings of the Experimental Algorithms - 10th International Symposium, 2011

2008

Structural Biology by NMR: Structure, Dynamics, and Interactions.

Phineus R. Markwick, Therese E. Malliavin, Michael Nilges

PLoS Comput. Biol., 2008

2007

ARIA2: Automated NOE assignment and data integration in NMR structure calculation.

Wolfgang Rieping, Michael Habeck, Benjamin Bardiaux, Aymeric Bernard, Therese E. Malliavin, Michael Nilges

Bioinform., 2007

2004

NMRb: a web-site repository for raw NMR datasets.

Jean-Luc Pons, Therese E. Malliavin, Dominique Tramesel, Marc-André Delsuc

Bioinform., 2004

1998

An NMR assignment module implemented in the Gifa NMR processing program.

Therese E. Malliavin, Jean-Luc Pons, Marc-André Delsuc

Bioinform., 1998