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
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