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Research project

From Lab to Literature and back

Staff

Lead researcher

Professor Jeremy Frey

Professor of Physical Chemistry
Connect with Jeremy

Email: J.G.Frey@soton.ac.uk

Other researchers

Professor Jonathan Essex

Professor
Connect with Jonathan

Email: J.W.Essex@soton.ac.uk

Professor Mike Surridge

Professorial Fellow Information Tech

Research interests

  • Computer Networks Security
  • Automated cyber security risk assessment and management
Connect with Mike

Email: ms8@soton.ac.uk

Emeritus Professor Susan Lewis

Connect with Susan

Email: S.M.Lewis@soton.ac.uk

Professor Dave Woods

Professor of Statistics

Research interests

  • Design of experiments
  • Bayesian statistics
  • Statistical computing
Connect with Dave

Email: D.Woods@soton.ac.uk

Professor Sujit Sahu

Professor of Statistics

Research interests

  • Applied Bayesian modelling
  • Bayesian computation
  • Spatio-temporal data modelling
Connect with Sujit

Email: S.K.Sahu@soton.ac.uk

Collaborating research institutes, centres and groups

Computational Systems Chemistry

Our research covers a broad range of domains from nanoscale materials properties, atmospheric chemistry, through to biological systems.

Research outputs

The evolution of the Web and implications for eResearch
Wendy Hall, David De Roure & Nigel Shadbolt, 2009, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 367(1890), 991-1001
DOI: 10.1098/rsta.2008.0252
Type: article
Classification of water molecules in protein binding sites
Caterina Barillari, Justine Taylor, Russell Viner & Jonathan W. Essex, 2007, Journal of the American Chemical Society, 129(9), 2577-2587
DOI: 10.1021/ja066980q
Type: article
Bringing chemical data onto the semantic web
Kieron R. Taylor, Robert Gledhill, Jonathan W. Essex, Jeremy G. Frey, S.W. Harris & Dave C. De Roure, 2006, Journal of Chemical Information and Modeling, 46(3), 939-952
DOI: 10.1021/ci050378m
Type: article
A computer-aided drug discovery system for chemistry teaching
Robert Gledhill, Sarah Kent, Brian Hudson, W. Graham Richards, Jonathan W. Essex & Jeremy G. Frey, 2006, Journal of Chemical Information and Modeling, 46(3), 960-970
DOI: 10.1021/ci050383q
Type: article
The semantic grid and chemistry: experiences with CombeChem
Kieron Taylor, J.W. Essex, Jeremy G. Frey, H.R. Mills, G. Hughes & E.J. Zaluska, 2006, Journal of Web Semantics, 4(2), 84-101
DOI: 10.1016/j.websem.2006.03.003
Type: article