All Stories

  1. Proteins Feel More Than They See: Fine-Tuning of Binding Affinity by Properties of the Non-Interacting Surface

    Article • Journal of Molecular Biology, July 2014, Elsevier

    Dr Panagiotis L Kastritis, Dr. Alexandre M.J.J. Bonvin

  2. HADDOCK2P2I: A Biophysical Model for Predicting the Binding Affinity of Protein–Protein Interaction Inhibitors

    Article • Journal of Chemical Information and Modeling, February 2014, American Chemical Society (ACS)

    Dr Panagiotis L Kastritis, Dr. Alexandre M.J.J. Bonvin

  3. Molecular origins of binding affinity: seeking the Archimedean point

    Article • Current Opinion in Structural Biology, December 2013, Elsevier

    Dr Panagiotis L Kastritis, Dr. Alexandre M.J.J. Bonvin

  4. Solvated protein–DNA docking using HADDOCK

    Article • Journal of Biomolecular NMR, April 2013, Springer Science + Business Media

    Dr Panagiotis L Kastritis, Dr. Alexandre M.J.J. Bonvin

  5. Solvated protein–protein docking using Kyte‐Doolittle‐based water preferences

    Article • Proteins Structure Function and Bioinformatics, December 2012, Wiley

    Dr Panagiotis L Kastritis, Dr. Alexandre M.J.J. Bonvin

  6. Clustering biomolecular complexes by residue contacts similarity

    Article • Proteins Structure Function and Bioinformatics, May 2012, Wiley

    Dr Panagiotis L Kastritis, Dr. Alexandre M.J.J. Bonvin

  7. Protein–Protein Docking with HADDOCK

    Article • March 2012, Wiley

    Dr Panagiotis L Kastritis, Dr. Alexandre M.J.J. Bonvin

  8. Explicit Treatment of Water Molecules in Data-Driven Protein–Protein Docking: The Solvated HADDOCKing Approach

    Article • November 2011, Springer Science + Business Media

    Dr Panagiotis L Kastritis, Dr. Alexandre M.J.J. Bonvin

  9. Next challenges in protein–protein docking: from proteome to interactome and beyond

    Article • Wiley Interdisciplinary Reviews Computational Molecular Science, September 2011, Wiley

    Dr Panagiotis L Kastritis, Dr. Alexandre M.J.J. Bonvin

  10. Antimicrobial and Efflux Pump Inhibitory Activity of Caffeoylquinic Acids from Artemisia absinthium against Gram-Positive Pathogenic Bacteria

    Article • PLoS ONE, April 2011, PLOS

    Dr Panagiotis L Kastritis, Dr. Alexandre M.J.J. Bonvin, Prof Michael R Hamblin

  11. A structure‐based benchmark for protein–protein binding affinity

    Article • Protein Science, February 2011, Wiley

    Dr Panagiotis L Kastritis, Dr. Alexandre M.J.J. Bonvin

  12. Strengths and weaknesses of data‐driven docking in critical assessment of prediction of interactions

    Article • Proteins Structure Function and Bioinformatics, July 2010, Wiley

    Dr Panagiotis L Kastritis, Dr. Alexandre M.J.J. Bonvin

  13. Are Scoring Functions in Protein−Protein Docking Ready To Predict Interactomes? Clues from a Novel Binding Affinity Benchmark

    Article • Journal of Proteome Research, April 2010, American Chemical Society (ACS)

    Dr Panagiotis L Kastritis, Dr. Alexandre M.J.J. Bonvin

  14. Haloadaptation: Insights from comparative modeling studies of halophilic archaeal DHFRs

    Article • International Journal of Biological Macromolecules, October 2007, Elsevier

    Dr Panagiotis L Kastritis