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September 27, 2018
 
08:00-08:30
Morning Coffee and Registration
08:30-10:00
Structure-Based Drug Design
Pharmacophore Modeling / Docking / Fragment-based Design / Scaffold Replacement / R-Group Screening / Project Search / Protein-Ligand Interaction Fingerprints
10:00-10:15
Morning Break
10:15-11:00
Interactive Ligand Modification in situ
presented by Lewis Vidler, Senior Research Scientist, Eli Lilly
11:00-12:00
Ligand-Based Drug Design and SAR Analysis
R-Group Profiles and Analysis / MOEsaic / MMP Analysis / Descriptor Calculations / Conformational Searching / Molecular Alignments / Pharmacophore Modeling and Searching / Diversity Analysis
12:00-13:10
Workshop Lunch
12:45-13:10
Registration (check-in and badge pick-up)
CHAIR: Graeme Robb, AstraZeneca
13:10-13:15
Opening Remarks
13:15-13:45
Computational Methods to Design the Safest Sleep Medicines 
Georgia McGaughey, Senior Director, Vertex Pharmaceuticals
13:45-14:15
Tackling the Conformational Sampling of Larger Flexible Compounds and Macrocycles in Pharmacology and Drug Discovery 
Ijen Chen, Principal Scientist, Vernalis plc
14:15-14:45
Predictive Computational Approaches to Enable Covalent Targeting of Cysteine Residues in Drug Discovery Projects 
Richard Lonsdale, Computational Chemist, GlaxoSmithKline
14:45-15:15
MOEsaic: The application of Matched Molecular Pair Analysis to SAR Exploration 
Andrew Henry, Principal Scientist, Chemical Computing Group
15:15-15:45
Afternoon Break
CHAIR: Markus Kossner, Chemical Computing Group
15:45-16:15
Structure-Based Design of B-Cell Lymphoma 6 (BCL-6) Binders: The Journey to 100,000-fold Affinity Improvement 
Graeme Robb, Senior Computational Chemist, AstraZeneca
16:15-16:45
Impact and Influence in Med Chem Discovery 
Michelle Southey, Computational Chemist, Evotec
16:45-17:15
Targeting protein interactions using pharmacophore methods 
Arnout Voet, Assistant Professor, Katholieke Universiteit Leuven
17:15-17:45
Application of Structure Based Design to Inhibitors of Pi3Kd 
Nick Barton, Scientific Leader, GlaxoSmithKline
17:45-17:50
Closing Remarks
17:50-18:50
Social Reception