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Molecular Dynamics Simulations for Biomolecules with Gromacs

3-5.2 2004


This EMBnet-funded course focused on molecular dynamics (MD) simulation methods in studying large biomolecules. Lectures covered both overall methods and more detailed theoretical background of MD simulations of biomolecules. The lectures were given by Prof. H.J.C. Berendsen (University of Groningen, Netherlands) and Dr André Juffer (University of Oulu). Exercises focused on advanced MD simulations using the program package Gromacs 3.2. The instructor for the exercises was Dr David van der Spoel (Uppsala University, Sweden), one of the main developers of Gromacs.

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IndexMolecular Dynamics Simulations for Biomolecules with Gromacs

8 hits   Page [1]
 
Protein-membrane association. Theoretical model, Lekner summation
André Juffer
Date: 2004-02-05    Language: en   
 
GROMACS inside
David van der Spoel
Date: 2004-02-05    Language: en   
 
Beyond MD: Stochastic methods. Mesoscopic approaches
H.J.C. Berendsen
Date: 2004-02-05    Language: en   
 
pKa calculations - methods and applications
André Juffer
Date: 2004-02-04    Language: en   
 
Electrostatic interactions; continuum methods
André Juffer
Date: 2004-02-04    Language: en   
 
Free energy calculations. Analysis of simulation results
H.J.C. Berendsen
Date: 2004-02-04    Language: en   
 
Molecular Dynamics simulations. Methods and applications
H.J.C. Berendsen
Date: 2004-02-03    Language: en   
 
Introduction to Modelling. From quantum to classical mechanics
H.J.C. Berendsen
Date: 2004-02-03    Language: en   
8 hits   Page [1]