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Conference Proceeding CD Now Available
  • Speaker Presentations
  • Poster Abstracts
  • and More!



2:05 Chairperson’s Introduction
David Bailey, Ph.D, Chief Executive Officer, IOTA Pharmaceuticals Ltd

2:15 Fragment Library Design: Maximizing Success through Intelligent Selection
Douglas R. Davies, Ph.D., Sr. Research Scientist, Crystallography, deCODE biostructures, Inc.

  • Fragment properties and the “Rule of 3”
  • Privileged scaffolds and fragment selection
  • Chemical “handles”: a benefit or a burden?
  • Ligand efficiency and “Fragments of Life”
  • Pooling compounds for diversity

2:45 Fragment Library Screening: Exploring Pharma Space with Larger Fragment Libraries
David Bailey, Ph.D, Chief Executive Officer, IOTA Pharmaceuticals Ltd

  • Measuring diversity within fragment libraries
  • Building fragment libraries for specialised screening applications
  • IOTA and Vitas-M Lab 5000-component, Diverse and Medchem Fragment libraries
  • Validating fragment selection in practice: Case Studies with GPCRs

3:15 High-throughput Crystallography in Context: Efficiency through Miniaturisation
Stefan Steinbacher, Project Manager, Proteros biostructures GmbH

  • High-throughput crystallography to translate fragments into leads
  • Overview of published results and applications of the technology
  • Proteros’s crystallization technology
  • Case studies with pharmaceutical targets 

3:45 SPR: From Fragment Screening to Lead Optimization - the Biacore Experience
Per Källblad Ph.D., Chief Executive Officer, Beactica AB

  • Surface plasmon resonance (SPR) as a tool for fragment-based drug discovery
  • Technology benefits and technical challenges
  • Case studies:  MMP, HIV and HCV drug discovery

4:15 SPR:  From fragment screening to Lead Optimization - the Graffinity Experience
Thomas Neumann, Head of Screening, Graffinity Pharmaceuticals GmbH

  • The principles of array-based fragment screening
  • Advantages and applications of Graffinity’s fragment-screening approach
  • Selectivity and binding mode studies at a primary screening level
  • Case studies with pharmaceutical targets


4:45 Session Wrap-up

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