From: chemistry-request at
To: chemistry-request at
Date: Sat Oct 22 17:41:45 2005
Subject: 05.12.09 Molecular Graphics and Simulation of Biomolecules, U Warwick, UK
Molecular Graphics and Simulation of Biomolecules, U Warwick, UK

A workshop for those wishing to gain a practical understanding of how to
display and analyse molecular structures using a computer, including how to
perform molecular dynamics simulations of biomolecules.
                        9 th December 2005
     Department of Biological Sciences, University of Warwick

For further details/application form see overleaf or contact the Short 
Courses Unit
Tel 024 7652 3540.
As the number of known biomolecular structures (proteins, nucleic acids and 
carbohydrates) exceeds 30,000 the ability to access and analyse these 
structures becomes more and more important for researchers in the life and
physical sciences. Familiarity with molecular graphics computer programmes 
will be expected of future scientists in the same way as they use word 
proccessors or spreadsheets today. This workshop, however, goes a step 
further and introduces molecular dynamics (MD) simulation, used to simulate
 the thermal motion of a molecule. The applications of MD simulations are 
far reaching, from protein folding to the study of ion transport through
transmembrane channels. In this workshop we carry out the simulation of 
a small peptide molecule in explicit solvent using GROMACS software, 
followed by some basic data anlysis.
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