Therese E. Malliavin
Orcid: 0000-0002-3276-3366
According to our database1,
Therese E. Malliavin
authored at least 26 papers
between 1998 and 2021.
Collaborative distances:
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Bibliography
2021
Pseudo-dihedral Angles in Proteins Providing a New Description of the Ramachandran Map.
Proceedings of the Geometric Science of Information - 6th International Conference, 2021
Proceedings of the Geometric Science of Information - 6th International Conference, 2021
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.
Proceedings of the IEEE International Conference on Bioinformatics and Biomedicine, 2021
2019
Systematic Exploration of Protein Conformational Space Using a Distance Geometry Approach.
J. Chem. Inf. Model., 2019
Discret. Appl. Math., 2019
2018
J. Glob. Optim., 2018
Closed-Locked and Apo-Resting State Structures of the Human α7 Nicotinic Receptor: A Computational Study.
J. Chem. Inf. Model., 2018
2016
Building Graphs To Describe Dynamics, Kinetics, and Energetics in the d-ALa: d-Lac Ligase VanA.
J. Chem. Inf. Model., 2016
Improved large-scale prediction of growth inhibition patterns using the NCI60 cancer cell line panel.
Bioinform., 2016
2015
Comparing the Influence of Simulated Experimental Errors on 12 Machine Learning Algorithms in Bioactivity Modeling Using 12 Diverse Data Sets.
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.
J. Cheminformatics, 2015
Chemically Aware Model Builder (camb): an R package for property and bioactivity modelling of small molecules.
J. Cheminformatics, 2015
Prediction of the potency of mammalian cyclooxygenase inhibitors with ensemble proteochemometric modeling.
J. Cheminformatics, 2015
Identification of binding sites and favorable ligand binding moieties by virtual screening and self-organizing map analysis.
BMC Bioinform., 2015
Applications of proteochemometrics - from species extrapolation to cell line sensitivity modelling.
BMC Bioinform., 2015
An algorithm to enumerate all possible protein conformations verifying a set of distance constraints.
BMC Bioinform., 2015
2014
J. Chem. Inf. Model., 2014
2013
Proceedings of the Distance Geometry: Theory, Methods, and Applications, 2013
2011
Bioinform., 2011
Influence of Pruning Devices on the Solution of Molecular Distance Geometry Problems.
Proceedings of the Experimental Algorithms - 10th International Symposium, 2011
2008
PLoS Comput. Biol., 2008
2007
Bioinform., 2007
2004
1998
Bioinform., 1998