3D protein structures: what sequences cannot tell you

Preliminary programme

  • 09:30-10:00 Arrival and coffee
  • 10:00-10:05 Welcome word

Session I:

  • 10:05-10:50 Keynote I.Vlad Cojocaru, Hubrecht Insitute: “Molecular simulations of DNA recognition by transcription factors”
  • 10:50-11:10 Jan Huertas, MPI for Molecular Biomedicine, Germany: “Sequence-dependent nucleosome dynamics: Implications for transcription factor binding”
  • 11:10-11:30 Carlos Ramírez, University of Groningen: “In silicoenzyme design of omega-transaminases”


  • 11:30-12:15 Keynote II. Marc Baaden, Institut de Biologie Physico-Chimique: “3D protein structures in virtual molecular reality - insights from immersive visual exploration and touching molecules in motion”
  • 12:15-12:35 Andrea Basciu, Università di Cagliari, Italy: “Druggable protein conformations from enhanced-sampling of pocket volume and shape”

Lunch and posters

  • 12:35-14:00 Lunch, poster session, and VR demo


  • 14:00-14:45 Keynote III. Chris Oostenbrink, Institute of Molecular Modeling and Simulation, BOKU Vienna, Austria: “Binding molecules in free-energy calculations”
  • 14:45-15:05 Janani Durairaj, Wageningen University & Research:“Structure-based Prediction of Sesquiterpene Synthase Product Specificity”
  • 15:05-15:25Jan Walther Perthold, Institute of Molecular Modeling and Simulation, BOKU Vienna, Austria: “Automated Free Energy Calculation for Drug Design: Accelerated Enveloping Distribution Sampling”

Coffee break

  • 15:25-16:00 Coffee break


  • 16:00-16:20 Bogac Ercig, Sanquin: “From autoantibodies to therapeutics: en route to novel treatment for immune TTP”
  • 16:20-17:05 Keynote IV. Peter Peters, Maastricht University: “Beauty and Benefits of cryo-EM; our new endeavors in vitrification of proteins and cells”
  • 17:05 Closure & Poster/Presentation prize



Attendance is free of charge but registration is required.

Organized with the support of: