Publications

Title: CCP4i2: the new graphical user interface to the CCP4 program suite
Authors: L Potterton, J Agirre, C Ballard, et al., R Keegan, E Krissinel, K Stevenson, A Lebedev et al., F von Delft, D Waterman, M Winn and M Wojdyr
Journal: Acta Crystallographica Section D LINK
Title: Characterisation of a novel transmission Raman spectroscopy platform for non-invasive detection of breast micro-calcifications
Authors: A Ghita, P Matousek and N Stone
Journal: Biomedical Vibrational Spectroscopy 2018: Advances in Research and Industry LINK
Title: Classical and quantum calculations of the temperature dependence of the free energy of argon
Authors: W Xu, AP Horsfield, D Wearing and PD Lee
Journal: Computational Materials Science LINK
Title: Cloning, purification and structure determination of the HIV integrase-binding domain of lens epithelium-derived growth factor
Authors: C Hannon, A Cruz-Migoni, O Platonova, RL Owen, JE Nettleship, A Miller, SB Carr, G Harris, TH Rabbits and SEV Phillips
Journal: Acta Crystallographica Section F: Structural Biology Communications LINK
Title: CO oxidation over supported gold nanoparticles as revealed by operando grazing incidence X-ray scattering analysis
Authors: Y Odarchenko, DJ Martin, T Arnold and AM BealeY Odarchenko, DJ Martin, T Arnold, AM Beale
Journal: Faraday Discussions LINK
Title: Comparing ammonia diffusion in NH3-SCR zeolite catalysts: a quasielastic neutron scattering and molecular dynamics simulation study
Authors: AJ O’Malley, M Sarwar, J Armstrong, CRA Catlow, IP Silverwood et al.
Journal: Physical Chemistry Chemical Physics LINK
Title: Comparison of Cu-Mg-Al-Ox and Cu/Al2O3 in selective catalytic oxidation of ammonia (NH3-SCO)
Authors: M Jabłońska, B Wolkenar, AM Beale, S Pischinger and R Palkovits
Journal: Catalysis Communications LINK
Title: Computational investigation of CO adsorbed on Aux, Agx and (AuAg)x nanoclusters (x = 1 − 5, 147) and monometallic Au and Ag low-energy surfaces
Authors: AL Gould, CRA Catlow and AJ Logsdail
Journal: European Physical Journal B LINK
Title: ConPlot: web-based application for the visualization of protein contact maps integrated with other data
Authors: Filomeno Sánchez Rodríguez, Shahram Mesdaghi, Adam J Simpkin, J Javier Burgos-Mármol, David L Murphy, Ville UskiRonan M Keegan, Daniel J Rigden
Journal: Bioinformatics LINK