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Research project

UK Physical Sciences Database Service National Research Facility

Staff

Lead researcher

Professor Simon Coles

Professor of Structural Chemistry

Research interests

  • Chemical Crystallography
  • Structures under change
  • Quantum Crystallography
Other researchers

Professor Jeremy Frey

Professor of Physical Chemistry

Collaborating research institutes, centres and groups

Characterisation and Analytics

Combing specialists from mass spectrometry, nuclear magnetic resonance spectroscopy and X-ray diffraction to create a world-class problem solving team.

Computational Systems Chemistry

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

Research outputs

AI3SD Video: Data publication – a personal tale
Sarah Callaghan,
Samantha Kanza,
Jeremy G. Frey,
Victoria Hooper,
& Nicola Knight
, 2020
DOI: 10.5258/SOTON/P0062
Type: conference
AI3SD Video: Pitfalls and Gotcha’s with bioactivity data
John Overington,
Samantha Kanza,
Jeremy G. Frey,
Victoria Hooper,
& Nicola Knight
, 2020
DOI: 10.5258/SOTON/P0068
Type: conference
Taking FAIR on the ChIN: The Chemistry Implementation Network
Simon J. Coles,
Jeremy G. Frey,
Egon Willighagen,
& Stuart J. Chalk
, 2019 , Data Intelligence Journal
DOI: 10.1162/dint_a_00035
Type: article
Novel epidithiodiketopiperazines as anti-viral zinc ejectors of the Feline Immunodeficiency Virus (FIV) nucleocapsid protein as a model for HIV infection
Christopher R.M. Asquith,
Bruno C. Sil,
Tuomo Laitinen,
Graham J. Tizzard,
Simon J. Coles,
Antii Poso,
Regina Hofmann-Lehmann,
& Stephen T. Hilton
, 2019 , Bioorganic & Medicinal Chemistry , 27 (18) , 4174--4184
DOI: 10.1016/j.bmc.2019.07.047
Type: article