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Preliminary ProgramSunday October 16th, 2005 16:00 – 20:00 Arrival and Registration at the University of Tromsø A cold meal 19:30 Opening and welcome 20:00 Transportation to “Skarven” in the harbor area. Ca. 24:00 We are entering the Costal cruiser “ M/S Finnmarken” and find our cabins Monday October 17th, 2005 01:30 “M/S Finnmarken” is leaving Tromsø on its trip southward 08:00-09:00 Breakfast on “M/S Finnmarken” 09:00-09:45 Arieh Warshel Elucidating the origin of enzyme catalysis by computer simulations; How to exclude /validate catalytic proposals. 09:45-10:30 Johan Åqvist Combining homology modelling, automated docking and EVB simulations for enzymes with unknown structure. 10:30-11:00 Break 11:00-11:45 Adrian Mulholland Modelling enzyme-catalysed reaction mechanisms with QM/MM methods. 11:45-12:30 Modesto Orozco 12:30-14:00 Lunch 14:00-18:00 Student presentation of posters and discussions 18:30 “M/S Finnmarken” is arriving the town Svolvær in Lofoten, and we are leaving the ship. 18:30-22:00 Exploring Svolvær and a light meal 21:30 We are entering the Northward bound Costal Crusier “M/S Trollfjord” 22:00 “M/S Trollfjord” is leaving Svolvær. 22:30 Dinner at “M/S Trollfjord” Tuesday October 18th, 2005 08:00-09:00 Breakfast at “MS Trollfjord” 09:00-09:45 Wilfred van Günsteren Advances in the computation of binding constants and rapid estimation of free energies of complexation. 09:45-10:30 Rebecca Wade Browninan dynamics simulations 10:30-11:00 Break 11:00-11:45 Kristin Tøndel Design of selective protein inhibitors using Protein Alpha Shape Similarity Analysis (PASSA) and Protein Alpha Shape (PAS) Dock. 11:45-12:30 Jonathan Essex Flexible-Protein docking. 12:30-14:00 Lunch 14:30 “MS Trollfjord” is arriving Tromsø and we are leaving the ship 15:30-23:00 Excursion to the “Polaria”, The Artic Experience Centre, and dinner at “Fløya” The remaining part of the Practical Course will take place at the Univeristy Campus in Tromsø Wednesday October 19th, 2005 Breakfast at the hotel 09:00-12:30 Rebecca Wade Practical on Brownian dynamics simualtions. 12:30-14:00 Lunch 14:00-19:00 Arieh Warshel Practical on EVB simualtions. Thursday October 20th, 2005 Breakfast at the hotel 09:00-12:30 Arthur Olson Protein-ligand docking with AutoDock: from fundamentals to virtual screening: Part I 12:30-14:00 Lunch 14:00-19:00 Arthur Olson Protein-ligand docking with AutoDock: from fundamentals to virtual screening: Part II Friday October 21st, 2005 Breakfast at the hotel 09:00-14:00 Bjørn Brandsdal Binding affinity estimation using the Linear Interaction Energy method and Free energy perturbation |