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Dr David Palmer


Pure and Applied Chemistry

Personal statement

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.


PRFFECT : a versatile tool for spectroscopists
Smith Benjamin R., Baker Matthew J., Palmer David S.
Chemometrics and intelligent laboratory systems, (2018)
Optimal water networks in protein cavities with GAsol and 3D-RISM
Fusani Lucia, Wall Ian, Palmer David, Cortes Alvaro
Bioinformatics, (2018)
On the effect of mutations in bovine or camel chymosin on the thermodynamics of binding κ-caseins
Ansari Samiul M., Sørensen Jesper, Schiøtt Birgit, Palmer David S.
Proteins: Structure, Function, and Bioinformatics, pp. 1-36, (2017)
Salting-out effects by pressure-corrected 3D-RISM
Misin 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 simulations
Ansari Samiul M., Coletta Andrea, Kirkeby Skeby Katrine, Sørensen Jesper, Schiøtt Birgit, Palmer David S.
Journal of Physical Chemistry B Vol 120, pp. 10453-10462, (2016)

more publications

Research interests

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).

Professional activities

ScotCHEM 2015
Computational Biomolecular Design using the Integral Equation Theory of Molecular Liquids: from Drug Discovery to Bionanotechnology
Journal of Physics: Condensed Matter (Journal)
Guest editor
WE-Heraeus Seminar on "Exploring Solvation Science"
Modelling Molecules and Materials – M3 MGMS Meeting
248th ACS National Meeting & Exposition

more professional activities


A novel blood test for the early diagnosis of cancer and for pro-active health screening (High Growth Spin Out Phase 2)
Baker, Matthew (Principal Investigator) Palmer, David (Co-investigator)
Period 03-May-2017 - 02-Nov-2018
A novel blood test for the early diagnosis of cancer and for pro-active health screening.
Baker, Matthew (Principal Investigator) Palmer, David (Co-investigator)
Period 03-May-2016 - 03-Aug-2017
Bridging the Gap Grant - In silico to in clinic-o
Baker, Matthew (Principal Investigator) Palmer, David (Co-investigator) Hunt, Neil (Co-investigator)
Period 02-Mar-2015 - 02-Jun-2015
Fast and Accurate Predictions of Physical-Chemical Properties of Bioactive Molecules
Palmer, David (Academic)
Period 01-May-2014
BTG: Developing a new class of biomimetic functional surface
Palmer, David (Academic) Lau, K. H. Aaron (Academic)
This experimental-computational project will investigate peptoids, a new class of peptide-inspired polymers, as novel biomimetic surface coatings. Although peptides are remarkable natural polymers that can perform complex biological functions, it is difficult to design or predict their properties. Peptoids mimic the chemical structure and functionality of peptides but have simplified chemical synthesis and unprecedented properties. As a first step, we aim to design model peptoids that can adsorb on surfaces by studying the solubility of peptoids, a fundamental property that determines their physical behaviour and biofunctionality. This will pave the way to fabricating highly functional materials for advanced coating applications.
Period 17-Mar-2014 - 15-Aug-2014
Investigating the accuracy of sublimation free energy prediction by ab initio and semi-empirical methods.
Palmer, David (Principal Investigator) Fedorov, Maxim (Principal Investigator)
This project aims to investigate how accurately sublimation free energy (ΔGsub) of small to medium sized organic molecules can be predicted by theoretical methods. We plan to use ab initio calculations from CASTEP and CRYSTAL09 to compare with lattice simulations, the latter performed in-house. Our motivation for the project is to improve our ability to predict solution free energy (ΔGsolv) (and solubility) from a thermodynamic cycle.
Period 01-Jan-2013

more projects


Pure and Applied Chemistry
Thomas Graham Building

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