Events

Dynamic Modelling and Kinetic Data Fitting Using SimFit - A practical approach

PACE Workshop, European Centre for Living Technology

Isle of San Servolo, 30 June-1July 2007

Organizers: G. von Kiedrowsky

PURPOSE

The aim of the workshop was to introduce the SimFit program to the attendants and enable them to solve kinetic problems using the build-in algorithms for numerical integration and optimization. The workshop started by explaining the basic mathematical and algorithmic procedures like automatic derivation of rate equations, simple Euler and stiff integration methods as well as Newton iteration and the concept of simplex optimization. This was followed by a survey of the SimFit command syntax and some practical hints for real world problem modelling. Finally the attendants could apply their knowledge in a "hands-on" session to some previously selected or their own  problems. 

PROGRAM

Saturday, June 30, 2007 

10:00 Arrival at ECLT 

10:15 G von Kiedrowski: Introduction to SimFit 

11:00 coffee break 

11:15 G von Kiedrowski: Algorithms 

12:30 lunch 

14:30 G von Kiedrowski: Commands 

16:00 coffee break 

16:30 G von Kiedrowski: Examples 

18:00 end of day 1 

Sunday, July 1, 2007 

10:15 Carla Verhaelen: Manual analysis of shift shifting in a tweezer-catalyzed pyridine alkylation 

10:45 G von Kiedrowski: Kinetic NMR titration of the tweezer-catalyzed pyridine alkylation 

11:00 Arne Dieckmann: Kinetic and computational analysis of a fulvene replicator 

11:30 Coffee break 

12:00 Tobias Plöger: Toward PNA replication analysis via kinetic titrations using 19F NMR 

spectroscopy 

12:30 Eric Hayden: Toward the kinetic analysis of a self-replicating ribozyme 

13:00 Lunch 

15:00 Learning by examples - SimFit excercises 

18:00 end of day 2