eCheminfo Oxford 2018 - Program

MONDAY, 3 September

Time	Title	Speaker
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	The role of NMR (and other techniques) in Label-free screening	Matteo Pennestri, Bruker UK
10:00	Shape-based methods in lead discovery and lead hopping	Paul Hawkins, OpenEye
11:00	Prepare to Be Squonked - Moving from Individual Tools to Complete Workflows	Tim Dudgeon, Informatics 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: Modern approaches to structure-based design	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	Integrated approaches for safe-by-design	Thomas Exner, Douglas Connect
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	Has Docking Improved in the Last 10 Years?	Garrett Morris, University of Oxford
10:00	How can we include NMR data in docking?	Thomas Exner, Douglas Connect
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