Palmer, David - University of Strathclyde - Department of Pure & Applied Chemistry

个人简介

I am a Lecturer in Chemistry at the University of Stratchlyde. I was born in London, but grew up in Cumbria in north west England. After obtaining a Masters degree in Chemistry from the University of Sheffield, I worked as a synthesis chemist for Norbrook Laboratories before reading my PhD in Chemistry at the University of Cambridge. Between 2008 and 2011, I was a postdoctoral researcher at Aarhus University in Denmark and then at the Max Planck Institute for Mathematics in the Sciences in Leipzig, Germany. In 2012 I was awarded a Marie Curie Research Fellowship and returned to the UK to join the Department of Physics at the University of Strathclyde. I moved to my current position in the Department of Chemistry in February 2014

研究领域

The main focus of my research is the development and application of molecular simulation and molecular informatics methods to solve industrially relevant problems at the interface between biochemistry and chemical physics. Recent examples have included the design of an enzyme for use in food manufacturing (in collaboration with Chr. Hansen A/S) and the development of new methods for computational drug discovery using the Integral Equation Theory of Molecular Liquids (in collaboration with AstraZeneca)

近期论文

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Salting-out effects by pressure-corrected 3D-RISMMisin Maksim, Vainikka Petteri A., Fedorov Maxim V., Palmer David S.Journal of Chemical Physics, (2016) Are the sublimation thermodynamics of organic molecules predictable?McDonagh James, Palmer David S., van Mourik Tanja , Mitchell John B.O.Journal of Chemical Information and Modeling, (2016) Allosteric activation mechanism of bovine chymosin revealed by bias-exchange metadynamics and molecular dynamics simulationsAnsari Samiul M., Coletta Andrea, Kirkeby Skeby Katrine, S?rensen Jesper, Schi?tt Birgit, Palmer David S.Journal of Physical Chemistry B, (2016) Combining random forest and 2D correlation analysis to identify serum spectral signatures for neuro-oncologySmith Benjamin Richard, Ashton Katherine M., Brodbelt Andrew, Dawson Timothy, Jenkinson Michael D., Hunt Neil T., Palmer David S., Baker Matthew J.Analyst Vol 141, pp. 3668-3678, (2016)http://dx.doi.org/10.1039/C5AN02452H Predicting solvation free energies using parameter-free solvent modelsMisin Maksim, Palmer David S., Fedorov Maxim V.Journal of Physical Chemistry B, (2016)http://dx.doi.org/10.1021/acs.jpcb.6b05352 Molecular simulation methods to compute intrinsic aqueous solubility of crystalline drug-like moleculesPalmer D. S., Fedorov M.V.Computational Pharmaceutical Solid State ChemistryComputational Pharmaceutical Solid State Chemistry, (2016)