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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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Molecular Dynamics Simulations for Biomolecules with Gromacs

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