ScotCHEM Computational Chemistry Symposium 2008
Venue: Joseph Black Building, conference room (A4-41a)
Download the full programme & abstracts booklet.
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Session I. Chair: Professor John McGrady
10:25 – Opening Remarks
10:30 – Professor Simon Mackay, University of Strathclyde
Using Molecular Dynamics Simulations to explore Ligand-DNA interactions
11:00 – Dr Brad Sherborne, Schering-Plough Pharmaceuticals
Working with Real HTS data
11:30 – Flash presentations
Session II.Chair: Professor Chick Wilson
13:00 – Professor Michael Buehl, University of St Andrews
From Computational NMR Spectroscopy to Homogeneous Catalysis: Beyond Static Molecules
13:30 – Dr Carole Morrison, University of Edinburgh
Adventures in Proton Transport and Migration
14:00 – Dr Martin Paterson, Heriot-Watt University
The Challenges Associated With Computing Two-Photon Absorption Properties
Session III. Chair: Professor Paul Madden
15:00 – Dr Hans Martin Senn, University of Glasgow
Insights into Enzymatic Halogenation from QM/MM Calculations
15:30 – Dr Philip Camp, University of Edinburgh
Phase Separation in Chemistry and in Biology
16:10 – Closing Remarks
16:20 – Posters and wine