From: chemistry-request at
To: chemistry-request at
Date: Sat Oct 22 16:02:35 2005
Subject: 05.10.25 Molecular Modelling for Macromolecular Crystallographers (MM4MX), Oxfordshire, UK
Workshop on Molecular Modelling for Macromolecular Crystallographers (MM4MX)
October 25th to October 27th 2005

Organized by: Katherine McAuley (Diamond Light Source), Guy Grant
 (University of Cambridge) & Veronique Saunal (Diamond Light Source)

Sponsored by: MAX-INF2, Diamond Light Source, CCP4,
 Chemical Computing Group.

A MAX-INF2 funded workshop on "Molecular Modelling for Macromolecular
Crystallographers (MM4MX)" will be held at Diamond Light Source in
Oxfordshire from October 25th to October 27th 2005. The workshop is
aimed at PhD and post-doctoral crystallographers who would like to
learn about the theory and practical applications of molecular modelling

The workshop will include lectures on molecular mechanics force fields
and minimisation, molecular dynamics, preparation of ligand coordinates
for docking and refinement, ligand docking, structure-based drug design,
and simulation of enzyme mechanisms. There will be practical sessions
using the Molecular Operating Environment (MOE) software and CCP4MG.

Location: Diamond House, Chilton, Didcot, Oxon OX11 0DE. UK
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