View all research projects
Research project

Structure-Property Mapping: Combination Chemistry & the grid (CombiChem)

Staff

Lead researchers

Professor Jeremy Frey

Professor of Physical Chemistry
Connect with Jeremy

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

Other researchers

Professor Jonathan Essex

Professor
Research interests
  • Molecular simulations of biological systems
  • Computer aided drug discovery
  • Method development in molecular simulations
Connect with Jonathan

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

Emeritus Professor Mike Hursthouse

Connect with Mike

Email: M.B.Hursthouse@soton.ac.uk

Emeritus Professor Susan Lewis

Connect with Susan

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

Research outputs

Digital research environments
Samantha Kanza, Cerys Willoughby, Nicola Knight, Colin Leonard Bird, Jeremy G. Frey & Simon J. Coles, 2023, Digital Discovery, 2(3), 602-617
DOI: 10.1039/d2dd00121g
Type: article
Data management matters
Cerys Willoughby & Jeremy G. Frey, 2022, Digital Discovery, 2022(3)
DOI: 10.1039/D1DD00046B
Type: article
Too many tags spoil the metadata: Investigating the knowledge management of scientific research with semantic web technologies
Samantha Kanza, Nicholas Gibbins & Jeremy G. Frey, 2019, Journal of Cheminformatics, 11(1)
DOI: 10.1186/s13321-019-0345-8
Type: article