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

MedChem by Design 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
13:15-13:45Shaping Belsomra: Application of Experimental and Theoretical Methods for Driving Synthetic Designs
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, Senior Scientist, Charles River Laboratories
14:45-15:15MOEsaic: The application of Matched Molecular Pair Analysis to SAR Exploration
Speaker to be announced, 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
16:15-16:45Talk title to be announced
Michelle Southey, Computational Chemist, Evotec
16:45-17:15Targeting protein interactions using pharmacophore methods
Arnout Voet, Assistant Professor, Katholieke Universiteit Leuven
16:45-17:15Talk title to be announced
Speaker to be announced, Glaxo SmithKline
17:45-18:00Closing Discussion
18:00-19:00Social 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