Professional Activities
Referee for journals:
Bioorganic & Medicinal Chemistry
Bioorganic & Medicinal Chemistry Letters
Drug Discovery Today
Journal of Computer Aided Molecular Design
Journal of Chemical Information and Modeling
Journal of Medicinal Chemistry
Journal of Molecular Catalysis A
Journal of Molecular Graphics and Modelling
Journal of Organic Chemistry
Computational Biology and Chemistry
Journal of Biomolecular Screening
Nature Communications
Current Drug Metabolism
MedChemComm
Tetrahedron
Referee for Research Councils:
EPSRC – Full Member of Peer Review College
EPSRC UK National Service for Computational Chemistry Software (NSCCS)
Wellcome Trust
Conference Roles
- SCI-RSC Workshop on Computational Tools for Drug Discovery, Online, 2021 (2021 - 2022)
- SCI-RSC Workshop on Computational Tools for Drug Discovery (2020)
- SCI-RSC Workshop on Computational Tools for Drug Discovery (2019)
- Chemical Structure Representation: What would Dalton do now?, (2017)
- Cheminformatics for Drug Design: Data, Models and Tools (2016)
- Computational Modelling: Understanding & Predicting Molecular Properties, by Invitation (University of Oxford, 2018)
- Antimalarial Drug Discovery: Exploring the MEP Pathway, by Invitation (2017)
- Anti-Wolbachia (AWOL) Drug Discovery: Ligand Based Virtual Screening combined with HTS, Talk, European Federation of Medicinal Chemistry International Symposium on Medicinal Chemistry, by Invitation (2016)
- Molecular Modelling in Medicinal Chemistry, by Invitation (Nathiagali Summer School: Computational Biophysics, 2016)
- Computational predictive ADMET:Guiding Medicinal Chemistry, by Invitation (RSC 3rd new perspectives in DMPK: the impact of drug design, 2016)
- Targeting Protein:Protein Interactions via Structure-Based Molecular Design and Virtual Screening: Modulating the NCS1:D2 Interaction, by Invitation (British Biophysical Society 2016 Biennial Meeting, 2016)
- Anti-Wolbachia (A-WOL) Drug Discovery: Ligand Based Virtual Screening combined with HTS, by Invitation (XXIV EFMC International Symposium on Medicinal Chemistry, 2016)
- Medicinal chemistry optimization of positive allosteric modulators of strychnine‐sensitive glycine receptors: A New Approach to Preventing/Treating Chronic Pain, by Invitation (9th International conference on Mechanisms of Anaethesia, 2015)
- Molecular Modelling: Novel Small Molecule Inhibitors for Malaria, by Invitation (RSC Organic Division North-West Region, 2015)
- Targeting Isoprenoid Biosynthesis to Treat Human Malaria, by Invitation (3rd Computationally Driven Drug Discovery Meeting, Verona, 2014)
- Targeting Protein:Protein Interactions via Structure-Based Drug Design and Virtual Screening: Modulating the NCS1:D2 Interaction, by Invitation (3rd Computationally Driven Drug Discovery Meeting, Verona, 2014)
- Molecular Modelling: Novel Small Molecule Inhibitors for Malaria, by Invitation (Professor Hans Suschitzky Organic Chemistry Symposium, University of Salford, 2014)
- Developing Inhibitors against Protein-Protein Interactions,, by Invitation (University of Liverpool, 2013)
- Enhancing Student Learning: Providing Recordings of Chemistry Teaching, by Invitation (Faculty Teaching & Learning Symposium, University of Liverpool, 2013)
- Targeting Isoprenoid Biosynthesis to Treat Human Malaria, by Invitation (Sixth Joint Sheffield Conference on Cheminformatics, Sheffield, 2013)
- Molecular Modelling in A∙WOL II: A∙WOL Macrofilaricidal Drug Discovery, by Invitation (AWOL Expert Scientific Advisory Committee, 2013)
- Novel Cyclophilin D Inhibitors: Molecular Modelling, Synthesis and Evaluation, by Invitation (International Pancreas and GI Translational Science Symposium, Liverpool, 2013)
- A new generation quinolone antimalarial targeting the mitochondrial respiratory chain for the treatm, by Invitation (International Drug Discovery Science and Technology, Nanjing, China, 2012)
- Molecular Modelling: Novel Small Molecule Inhibitors for Malaria: MEP, by Invitation (Washington University, St Louis, USA, 2012)
- Chemoinformatics: Computational Compound Selection Fit for Purpose, by Invitation (Dial-A-Molecule, University of Liverpool, 2012)
- Molecular Modelling: Novel Small Molecule Inhibitors for Malaria: MEP, by Invitation (Washington University, St Louis, USA, 2012)
- Molecular Modelling: Novel Small Molecule Inhibitors for Malaria, by Invitation (Glaxo Smith Kline, Tres-Cantos, Madrid, 2012)
- A new generation quinolone antimalarial targeting the mitochondrial respiratory chain for the treatment and prophylaxis of malaria, by Invitation (International Drug Discovery Science and Technology, Nanjing, 2012)
- Chemoinformatics: Computational Compound Selection Fit for Purpose, by Invitation (Dial-A-Molecule, University of Liverpool, 2012)
- Molecular Modelling: Novel Small Molecule Inhibitors for Malaria, by Invitation (Glaxo Smith Kline, Tres-Cantos, Madrid, 2012)
- Enhancing Student Learning: Providing Recordings of Chemistry Teaching, by Invitation (Anglia Ruskin University, 2012)
- Molecular Modelling: Novel Small Molecule Inhibitors against Malaria: NDH2, by Invitation (BIT's 2nd Annual International Conference of Medichem, Beijing, 2011)
- ChemTube3D: Web-Based Interactive 3D Simulations of Stereo- and Enantioselective Organic Reaction Mechanisms, by Invitation (Variety in Chemical Education, University of York, 2011)
- Enhancing Student Learning: Providing Recordings of Chemistry Teaching - a HEA project , by Invitation (Learning and Teaching Conference, University of Liverpool, 2011)
- Enhancing student learning: providing recordings of Chemistry reaching - a HEA project, by Invitation (Association for Learning Technology (ALT), Lecture Capture - doing it well and at scale, 2011)
- ChemTube3D: Web-Based Interactive 3D Simulations of Stereo- and Enantioselective Organic Reaction Mechanisms, by Invitation (Higher Education Academy, Physical Sciences Centre, Department Representatives Meeting, Leeds, 2011)
- A Novel Drug for Uncomplicated Malaria, by Invitation (Fifth Joint Sheffield Conference on Cheminformatics, 2010)
- Chemoinformatics Compound Identification for a Drug for Uncomplicated Malaria, by Invitation (BIT's 1st Annual International Conference of Medichem, Beijing, 2010)
- Enhancing student learning using online resources, by Invitation (Variety in Chemical Education, University of Loughborough, 2010)
- Co-ordination, Rationalisation, and Integration of AntiMAlarial Drug Discovery & Development, by Invitation (CRIMALDDI, 2010)
- Structure-Reactivity Relationships for Arylacetic Acid 1β-O-Acyl Glucuronides, by Invitation (RSC Bioorganic organising comittee, 2009)
- e-Lectures within the Chemistry Department, by Invitation (Organising committee, 2009)
- Molecular Modelling: Novel Small Molecule Insecticides, by Invitation (Bayer CropScience, Monnheim, 2009)
- Computational Chemistry: Drug Design and Reaction Modelling, by Invitation (University of Liverpool, 2007)
- Quantitative Structure Activity Relationships, by Invitation (Romark Conference, Bern, 2005)
Examination Roles
- Kyle Orritt, Supervisor: Prof. Colin Fishwick, University of Leeds, December 2021 (PhD, 2021 - present)
- University of the Western Cape, South Africa, PhD (2016)
- Liverpool John Moores University, PhD (2016)
- North-West University, South Africa, MSc (PGT, 2015)
- University of Cambridge, PhD (2013)
- University of Leeds, PhD (2011)
External Administrative or Committee Roles
- Invited committee member - Royal Society of Chemistry Chemical Information and Computer Applications Group (2015 - 2022)
Internal Administrative or Committee Roles
- Member of University Senate (University)
- University Senate (University, 2018 - present)
- Head of Department (Department, 2018 - 2024)
- Department REF co-coordinator (Department, 2017 - present)
- Director of Post Graduate Research School of Physical Sciences (School / Institute, 2015 - 2018)
- National Chemical Database Service – Departmental Representative (Department, 2014 - present)
- Research Data Management Departmental Lead (University, 2013 - present)
- Departmental Research Committee (Department, 2011 - present)
- Departmental Teaching and Learning Committee (Department, 2011 - present)
- Departmental Undergraduate Recruitment Committee (Department, 2011 - 2014)
- Departmental Staff Student Liaison committee (Department, 2011 - 2017)
Organisations I have been associated with
- Liverpool ChiroChem (2017 - present)
- Creation of National STEM Centre teaching [resource](http://www.nationalstemcentre.org.uk/elibrary/resource/12673/computational-molecular-modelling) for post-16 chemistry and biology students (2015)
- Invited contributor to RSC Open Data Meeting (2014)
- Invited contributor to RSC Open Innovation and Neglected Diseases Workshop (2013)
- Astra Zeneca, Alderley (2009 - present)
- Royal Society of Chemistry “Meet the Universities” (2013 - 2014)
- Invited Advisory Board Member, Ithaka Project (Research Support Services for Scholars: Chemistry) (2012 - 2013)
- Unilever (2012 - present)
- GSK (2012 - 2015)
- Expert Member on Two Workstreams, Crimalddi Initiative (Coordination, Rationalisation & Integration of Antimalarial Drug Discovery Development Initiatives) (2011)
- Organisation of School’s Lab “Spectroscopy Workshops” (2011)
- Invited participant of Cross-council Chemical Biology workshop (EPSRC, BBSRC, MRC). (2010)
- Syngenta (2010)
- Bradford Pharma (2008 - 2009)
- Coordinated AS study days (2007 - 2009)
Professional Body Memberships
- Higher Education Academy (Fellow, 2012 - present)
- Royal Society of Chemistry (Member, 2005 - present)