Protein-peptide interactions: peptide identification, binding prediction and design

Location :

CECAM-FR-MOSER University Paris-Diderot Amphi Turing Bâtiment Sophie Germain 8 place Aurélie Nemours - 75013 Paris October 16, 2018 - October 19, 2018

Organizers :

Pierre Tuffery
UMRS 973, Univ. Paris Diderot, France
Martin Zacharias
Technical University of Munich, Germany
Angelita Rebollo
CIMI - Univ. Pierre et Marie Curie, France

Advanced statistical approaches in Structural Bioinformatics

PIA "bioinformatique", ANR "Bayesian Inference Paradigm - Biology in Processors".

Conference schedule

Tuesday, October 24th

  • 13:30-13:45 Welcome address (M. Nilges, P. Tufféry)
  • 13:45-14:15 Modeling Enzyme-Substrate complexes for Glycosidases (P. Coutinho)
  • 14:15-14:45 Tuning the interval Branch-and-Prune (iBP) algorithm for practical protein structure determination (B. Worley)
  • 14:45-15:15 Potentials of mean force: from hack to math (T. Hamelryck)

  • 15:15-15:30 Coffee break

  • 15:30-16:00 Principle of Proteins Ensemble determination (C. Camilloni)
  • 16:00-16:30 Modeling of structure and design of binding of peptide-protein interactions using Rosetta FlexPepDock (O. Furman)
  • 16:30-17:00 Peptide modeling in isolation and in interaction : a probabilistic framework (P. Tufféry)

Wednesday, October 25th

  • 09:30-10:00 Progress in Normal Modes refinement and generation of transition paths trajectories (M. Delarue)
  • 10:00-10:30 From a conformer to another: the case of large amplitude conformational changes (YH. Sanejouand)

  • 10:30-11:00 Coffee break

  • 11:00-11:30 Evolutionary guided structural modelling of protein complexes (R. Guerois)
  • 11:30-12:00 Bayesian modeling of biomolecular assemblies (M. Habeck)
  • 12:00-12:30 Exploring biomolecular association using advanced sampling methods (M . Zacharias)

  • 12:30-14:00 Lunch

  • 14:00-14:30 Very large virtual library screening for ligand discovery (J. Irwin)
  • 14:30-15:00 Mining ligand structural data from the PDB (H. Xhaard)
  • 15:00-15:30 Mining target structural data and their druggability (AC. Camproux)

  • 15:30-16:00 Coffee break

  • 16:00-16:30 Sequence and 3D structure mining in rare genetics diseases (O. Poch)
  • 16:30-17:00 Integrative modelling of transcriptional regulators (A. Dejaegere) (cancelled)


The meeting will take place Amphitheater Turing, in the Sophie Germain building of University Paris Diderot. More information on the location and venue below.

Venue: Take metro line up to station "Bibliothèque François Mitterrand". Follow the "René Goscinny" exit. Turn left on Avenue de France. Place Aurélie Nemours is on the left at approximately 300m. The Sophie Germain building is the white building behind with colored shades.

Venue: Using RER instead of metro line , take RER up to station "Bibliothèque François Mitterrand". Follow the "Avenue de France" exit. Turn right on Avenue de France. Place Aurélie Nemours is on the left at approximately 200m. The Sophie Germain building is the white building behind with colored shades.

IFB Bioinformatique Structurale: Workshop Web Viewers

Le WP Bioinformatique Structurale de l'IFB organise un mini workshop sur les viewers javascript le 28 juin, dans les locaux de la plate-forme RPBS, Paris. La participation est gratuite, mais l'inscription est obligatoire, le nombre de places étant limité. Les personnes qui souhaiteraient faire une présentation courte sur la thématique sont également invitées à prendre contact.
Contact: rpbs __at__


  • 12:30-13:30 Déjeuner

  • 16:00 End of the workshop