From: chemistry-request at ccl.net
To: chemistry-request at ccl.net
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 http://www2.warwick.ac.uk/fac/sci/bio/shortcourses/calendar/ 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. http://www.warwick.ac.uk/go/bioscienceshortcourses 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.NOTE THAT E-MAIL ADDRESSES HAVE BEEN MODIFIED!!!