Drug Discovery 2014 Program

Drug discovery workshop, Oxford 2014
Drug Discovery 2014, Punting trip
Drug discovery workshop, Oxford 2014
Drug discovery workshop, Oxford 2014
Drug discovery workshop, Oxford 2014

Monday
08.30 Registration Open
09.00 Overview of Workshop Activities
09.15 Functional kinomics of Plasmodium-infected erythrocytes
09:45 Genome wide functional analysis of Plasmodium kinases and phosphatases
10:15 Discussion

10.45 Homology Modelling and Loop Refinement using Phosphoglycerate Kinase,
12.30 Lunch

13.15 A Real World Drug Discovery Study: Homology Modelling and Loop Refinement for the Design of Novel Anti-bacterial agents for Histidine Kinase
15.00 Group Work and Discussion on Workshop Case Study Problems

17.00 Poster Session with Refreshments and Food

Tuesday
08.45 Structure Preparation and Docking Experiments with SPORES/PLANTS
11.30 Group Work on Workshop Case Study Problems
13.00 Lunch
14.00 Docking Strategies
16.30 Group Work on Workshop Case Study Problems
18.00 Punting Trip

Wednesday
08:45 Virtual Screening with Shape: How well will we do?
11.30 Coffee Break
11.45 Group Work on Workshop Case Study Problems
13.15 Lunch
14.00 MM-PBSA/GBSA Free Energy of Binding Calculations on Protein Kinase Ligands – Part 1
16.15 Group Work on Workshop Case Study Problems
18.00 End of Workday

Thursday
08.45 ADME & Toxicology Profiling

09.45 Group Work on Workshop Case Study Problems

11.15 Group Work on Workshop Case Study Problems

13.00 Lunch 

14.00 MM-PBSA/GBSA Free Energy of Binding Calculations on Protein Kinase Ligands – Part 2
15.00 Group Work on Workshop Case Study Problems
18.00 End of Workday

Friday
09.00 Group Work on Workshop Case Study Problems
10.45 Group Work on Workshop Case Study Problems

12.00 Lunch

13.00 Group Presentation of Workshop Case Study Results
16.00 Review, Further Work, Experimental Testing of Predictions

17.00 End of Workshop