Oxford - Program

eCheminfo Oxford 2018 - Program

MONDAY, 3 September

08:30 Registration Open  
09:00 Welcome and Introduction to Workshop Concept  
09:15 Key Note: Drug development approaches at the Diamond light source Frank van Delft, Diamond Light Source
10:00 Introduction of Speakers and Case Studies  
11:00 Objective, chemistry-aware triaging of HTS data Teresa Kaserer, Institute of Cancer Research
12:00 Lunch  
13:00 Tutorials or Group Work on Case Studies  
17:00 Poster Session I  
18:30 End of Workday  
19:00 Workshop Dinner at Diamond  


TUESDAY, 4 September



















09:00 Shape-based methods in lead discovery and lead hopping Paul Hawkins, OpenEye
10:00 Prepare and run docking calculations Thomas Exner, Douglas Connect
11:00 Prepare to Be Squonked - Moving from Individual Tools to Complete Workflows Tim Dudgeon, Informatic Matters / Anthony Bradley, University of Oxford
12:00 Tutorials  
13:00 Lunch  
15:00 Group Work on Case Studies  
16:00 Leaving for Oxford  
17:00 CompChemKitchen Seminar (Biochem Department, Oxford University) Alessandro Contini, University of Milan


WEDNESDAY, 5 September





















09:00 Key Note: Aspects of industrial drug design Mike Bodkin, Evotec
10:00 Key Note: Ian Wall, GSK
11:00 Molecular dynamic stimulations for drug design and discovery Alessandro Contini, University of Milan 
12:00 Tutorials  
13:00 Lunch  
14:00 Tutorials or Group Work on Case Studies  
17:00 Poster Session II  
18:30 End of Workshop Day  


THURSDAY, 6 September

09:00 TBA  TBA 
10:00 Chem- and Bioinformatics for drug design and tox modelling Andreas Bender & Lewis Mervin, Cambridge
11:00 Tutorials  
13:00 Lunch  
14:00 Group Work on Case Studies  
16:30 Leaving for Oxford  
17:30 Punting  


FRIDAY, 7 September



















09:00 TBA  TBA 
10:00 Key Note: Aspects of industrial drug design TBA
11:00 Group presentations of case studies results  
13:00 Lunch  
14:00 Group presentations of case studies results  
14:45 Awarding of workshop certifications  
15:00 End of workshop