Steve Maginn
Chemical Computing Group
+44 (0)1223 422320

MedChem by Design Europe 2018

September 27, 2018  |   Cambridge, UK  |  Doubletree by Hilton Hotel



CCG is hosting a 1-day meeting focusing on benefits of computer-aided ligand and structure-based drug design techniques for medicinal chemists. Short hands-on workshops in the morning will be followed by scientific presentations in the afternoon. The meeting will end with a social reception. Please note that space is limited so early registration is recommended.

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

There is no cost to attend but pre-registration is required as seats are limited. Registrations will be processed and accepted on a first-come, first-serve basis.

  • Steve Maginn, Chemical Computing Group
  • Graeme Robb, AstraZeneca
  • Raul Alvarez, Chemical Computing Group
Doubletree by Hilton Hotel
Granta Place, Mill Lane
Cambridge CB2 1RT
United Kingdom