Technological Platform High Performance Computing

Research output

Research output per year 1992 2021 2023 2024

• 1804 Citations
• 19 h-index
• 157 Article
• 29 Conference contribution
• 21 Chapter
• 21 Poster
• 26 More
  • 7 Paper
  • 6 Preprint
  • 5 Commissioned report
  • 2 Other contribution
  • 1 Catalog chapter contribution
  • 1 Chapter (peer-reviewed)
  • 1 Literature review
  • 1 Review article
  • 1 Software
  • 1 Master's Thesis

Research output per year

Research output per year

Search results

• Chapter

  Comparison of 3-D Physico-Chemical Properties of Ligands for the Thromboxane A2 Receptor Using the Kohonen Self-Organizing Maps Technique

  Petit, J., Vercauteren, D., Dogné, J-M. & Durant, F., 2001, Abstracts of Papers of the American Chemical Society. Vol. 221. p. COMP-210

  Research output: Contribution in Book/Catalog/Report/Conference proceeding › Chapter

• Computerized Structural-Analysis of Zeolitic Networks - Conceptualization of a Zeolite Secne through Graphs Comparison

  Latour, T., Leherte, L. & Vercauteren, D., 1994, Abstracts of Papers of the American Chemical Society. Vol. 208. p. COMP-101

  Research output: Contribution in Book/Catalog/Report/Conference proceeding › Chapter

• Concentration Dependence of Butene Diffusion in Silicalite-2

  Jousse, F., Auerbach, S. & Vercauteren, D., 1998, Abstracts of Papers of the American Chemical Society . Vol. 215. p. COMP-210

  Research output: Contribution in Book/Catalog/Report/Conference proceeding › Chapter

• Determination of Protein Coarse-Grain Charges from Smoothed Electron Density Distribution Functions and Molecular Electrostatic Potentials

  Leherte, L. & Vercauteren, D., 2010, Handbook of Computational Chemistry Research. Collett, C. T. & Robson, C. D. (eds.). Hauppauge (NY): Nova Science Publishers, Inc., p. 153-191 39 p.

  Research output: Contribution in Book/Catalog/Report/Conference proceeding › Chapter

• Development of a Genetic Algorithm Method Applied to the Study of the Similarity between Ligands for the Benzodiazepine Receptors

  Meurice, N., Leherte, L. & Vercauteren, D., 1996, Abstracts of Papers of the American Chemical Society. Vol. 212. p. COMP-210

  Research output: Contribution in Book/Catalog/Report/Conference proceeding › Chapter

• Dynamics of Sorbed Molecules in Zeolites

  Auerbach, S., Jousse, F. & Vercauteren, D., 2004, Computer Modelling of Microporous Materials. Catlow, C. R. A. & van Santen, R. A. (eds.). p. 49-108 60 p.

  Research output: Contribution in Book/Catalog/Report/Conference proceeding › Chapter

• Elaboration of an Original Genetic Algorithm Approach Dedicated to the Study of Molecular Similarity

  Meurice, N., Leherte, L. & Vercauteren, D., 1997, Abstracts of Papers of the American Chemical Society. Vol. 213. p. COMP-393

  Research output: Contribution in Book/Catalog/Report/Conference proceeding › Chapter

• Exploration of Structure-Derived Protein Sequence Alignments

  Meurice, N., Vercauteren, D. & Maggiora, G., 2005, Abstracts of Papers of the American Chemical Society. Vol. 229. p. COMP-313

  Research output: Contribution in Book/Catalog/Report/Conference proceeding › Chapter

• Interplay of Protein Sequence and Structure: A Concept with Broad Implications in Biology and Molecular Design

  Meurice, N., Loftus, J., Lipinski, C., Vercauteren, D., Mousses, S. & Maggiora, G., 2008, Abstracts of Papers of the American Chemical Society . Vol. 236. p. CINF-26

  Research output: Contribution in Book/Catalog/Report/Conference proceeding › Chapter

• Interpretation Techniques for Promolecular Electron Density Distribution Functions

  Leherte, L. & Vercauteren, D., 2005, Abstracts of Papers of the American Chemical Society . Vol. 230. p. COMP-273

  Research output: Contribution in Book/Catalog/Report/Conference proceeding › Chapter

• Modeling the Physicochemical Properties of Zeolites by Computer-Aided Molecular Graphics

  Vercauteren, D. & Derouane, E., 1992, Abstracts of Papers of the American Chemical Society. Vol. 203. p. CATL-008

  Research output: Contribution in Book/Catalog/Report/Conference proceeding › Chapter

• Multiresolution Analysis of Topological Representations of Structural and Physico-Chemical Properties of Pharmacological Molecules

  Biname, J., Leherte, L. & Vercauteren, D., 2002, Abstracts of Papers of the American Chemical Society. Vol. 223. p. CINF-005

  Research output: Contribution in Book/Catalog/Report/Conference proceeding › Chapter

• Protein-Protein Docking Using Three-Dimensional Reduced Representations and Based on a Genetic Algorithm

  Becue, A., Meurice, N., Leherte, L. & Vercauteren, D., 2008, Models, Mysteries, and Magic of Molecules. Boeyens, J. C. A. & Ogilvie, J. F. (eds.). Guildford: Springer, p. 301-323 23 p.

  Research output: Contribution in Book/Catalog/Report/Conference proceeding › Chapter

• Scaling the Acidic Properties of Aluminosilicate and Aluminophosphate Molecular Sieves - A PDFT StuDy

  Elanany, M. & Vercauteren, D., 2005, Abstracts of Papers of the American Chemical Society . Vol. 229. p. COMP-290

  Research output: Contribution in Book/Catalog/Report/Conference proceeding › Chapter

• Similarities between Atomic Properties in Dense and Open Aluminophosphate Sieves

  Larin, A., Porcher, F., Aubert, E., Souhassou, M. & Vercauteren, D., 2004, 14th International Zeolite Conference. van Steen, E. W. J., Callanan, M. & Claeys, C. T. (eds.). p. 479-480 2 p.

  Research output: Contribution in Book/Catalog/Report/Conference proceeding › Chapter

• Spatial Motifs in Design

  Glasgow, J., Epstein, S., Meurice, N., Becue, A. & Vercauteren, D., 2004, Visual and Spatial Reasoning in Design (VR'04): Proceedings of the Third International Conference. Gero, J., Tversky, B. & Knight, T. (eds.). p. 183-196 14 p.

  Research output: Contribution in Book/Catalog/Report/Conference proceeding › Chapter

• Theoretical Studies of External Donors' Properties Used in Propylene Polymerisation

  Hansenne, C., Pattou, D., Standaert, D., Debras, G., Leherte, L. & Vercauteren, D., 2002, Abstracts of Papers of the American Chemical Society . Vol. 223. p. POLY-325

  Research output: Contribution in Book/Catalog/Report/Conference proceeding › Chapter

• Topological Analysis Approach for the Comparison of Structurally Different Molecules - Applications to Benzodiazepine-Related Compounds

  Leherte, L., Meurice, N. & Vercauteren, D., 1996, Abstracts of Papers of the American Chemical Society. Vol. 212. p. COMP-185

  Research output: Contribution in Book/Catalog/Report/Conference proceeding › Chapter

• Topological Analysis of Protein Electron-Density Maps - Rules for the Recognition of Secondary Structure Patterns

  Leherte, L. & Vercauteren, D., 1995, Abstracts of Papers of the American Chemical Society. Vol. 209. p. COMP-166

  Research output: Contribution in Book/Catalog/Report/Conference proceeding › Chapter

• Topological Analysis of Proteins as Derived from Medium and High Resolution Electron Density: Applications to Electrostatic Properties

  Leherte, L., Guillot, B., Vercauteren, D., Pichon-Pesme, V., Jelsch, C., Lagoutte, A. & Lecomte, C., 2007, The Quantum Theory of Atoms in Molecules - From Solid State to DNA and Drug Design. Matta, C. F. & Boyd, R. J. (eds.). Weinheim, Germany: Wiley-VCH, p. 285-316 32 p.

  Research output: Contribution in Book/Catalog/Report/Conference proceeding › Chapter

• Understanding the Structure and Dynamics of Small Peptides and Proteins through the Lens of Network Science

  Fossepre, M., Leherte, L., Laaksonen, A. & Vercauteren, D., 2018, Methods and Principles in Medicinal Chemistry series : Biomolecular Simulations in Structure-based Drug Discovery. Gervasio, F. L., Spiwok, V., Mannhold, R., Buschmann, H. & Holenz, J. (eds.). Wiley-VCH, p. 105 161 p.

  Research output: Contribution in Book/Catalog/Report/Conference proceeding › Chapter

  • Protein 100%
  • Comprehension 100%
  • Peptide 100%
  • Dynamics 100%
  • Protein Structure 100%