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Therapeutic Target Space:
Methods for Druggability Assessment

Chemical Computing GroupNEW logo

Open Eye Scientific








Science AAAS

The Scientist

chemical biology



Combi Chem Lab

Pharm Cast

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Structure-Based Drug Design (SBDD) has been in use within the pharmaceutical industry for over twenty-five years. SBDD continues to play an important role in drug discovery, design and optimization. Moreover, with the development of sophisticated biophysical and computational methodologies SBDD is impacting hit identification and ‘hit to lead’ optimization approaches across the industry. In this program, we wish to highlight some recent breakthrough stories and successes using SBDD driven by medicinal chemistry, computational and biophysical approaches. This conference continues to offer both new attendees and alumni insights into the latest work of community thought leaders as well as invaluable networking opportunities. Please join us this June in Cambridge, MA for our tenth anniversary!

Topics Include:

  • Selectivity Optimization: Using Structure to Optimize Selectivity
  • In Silico Discovery of Small Molecule Binders
  • New Computational Methods in SBDD
  • Targeting of Protein-Protein Interactions
  • New Advances in Docking
  • Impact of SBDD on Small Molecule Drug Discovery
  • GPCR Drug Discovery
  • Workshop: Therapeutic Target Space: Methods for Druggability Assessment

Hear from thought-leaders including:

Structure-Based Design of AP24534, a pan-BCR-ABL Inhibitor Overriding the T315I Gatekeeper Mutation

David Dalgarno, Ph.D., Vice President, Research Technologies, ARIAD Pharmaceuticals, Inc.

Implementation of Protein Flexibility and Water Molecules in Docking and Scoring Methods

Nicolas Moitessier, Ph.D., Professor, Chemistry, McGill University

The Impact of Recent X-Ray Structure Determinations on Structure-Based Drug Design for GPCRs and other CNS Targets

Sid Topiol, Ph.D., Head of US Computational Chemistry and Structural Investigations, Chemistry, Lundbeck Research, USA

Co-Presentation: Achieving Remarkable Potency and Selectivity Against HCV Protease by Irreversible Covalent Inhibition Using Structure-Based Drug Design

Deqiang Niu, Ph.D., Principal Scientist/Project Leader, Medicinal Chemistry, Avila Therapeutics

Juswinder Singh, Ph.D., Co-Founder/Chief Scientific Officer, Avila Therapeutics

Coupling the GPCR Structural Determination Process with Discovery and Optimization of Small Molecule Ligands

Michael Hanson, Ph.D., Associate Director, Structural Biology, Receptos, Inc.

Using Semi-Rational Design and Protein Folding to Engineer Highly Specific Protein-Protein Interactions for Therapeutic Intervention

Jody Mason, Ph.D., Lecturer, Biological Sciences, University of Essex