Professional Activities
I teach about our Molecular Replacement pipeline AMPLE and other bioinformatics relevant to crystallographers at CCP4 workshops eg in Sao Carlos, Brazil (www.ifsc.usp.br/mx2016/) or the APS in Chicago (www.ccp4.ac.uk/schools/APS-2016/). Along with Lu Mello, I also ran a Biochemical Society workshop on Protein Modelling and Structure-based Function Prediction (www.biochemistry.org/Events/tabid/379/View/Programme/MeetingNo/TD010/Default.aspx; image above).
Conference Roles
- Talk at 2019 CCP4/Diamond Workshop: "Bioinformatics for structural biologists"
- Talk at 2020 CCP4/Diamond Workshop: "Bioinformatics for structural biologists" (2021 - 2020)
- Talk at 2021 CCP4/Diamond South Africa School: "Bioinformatics for structural biologists" (2021)
- CCP4 Virtual Study Weekend 2021 (2021)
- CASP14 speaker: "CASP14 Refinement Assessment" (2020)
- AMPLE: unconventional Molecular Replacement, by Invitation (CCP4 Study Weekend, 2017)
- Exploiting structural bioinformatics for unconventional Molecular Replacement, by Invitation (12th International Conference on Biology and Synchrotron Radiation, SLAC, Stanford, 2016)
- Applications of contact predictions to structural biology, by Invitation (British Biophysical Society 2016 Biennial Meeting, 2016)
- AMPLE, a pipeline for unconventional Molecular Replacement, by Invitation (CCP4/APS School in Macromolecular Crystallography, 2016)
- Bioinformatics for MR (and beyond), by Invitation (CCP4/APS School in Macromolecular Crystallography, 2016)
- AMPLE, a pipeline for unconventional Molecular Replacement, by Invitation (IFSC/CCP4 Macromolecular Crystallography School 2016, 2016)
- AMPLE: exploiting structural bioinformatics developments to extend the reach of molecular replacement to difficult cases, by Invitation (European Crystallographic Meeting (ECM29), 2015)
- AMPLE, a program for unconventional Molecular Replacement, by Invitation (Dundee Bioinformatics Symposium Organisers, 2014)
- AMPLE, a program to process ab initio structure predictions into search models for MR, by Invitation (CCP4 Study Weekend 2013 organising committee, 2013)
- A cluster and truncate approach to processing ab initio models for Molecular Replacement., by Invitation (European Crystallographic Meeting (ECM27), 2012)
- Bioinformatics to explore the connections between protein sequence, structure and evolution, by Invitation (University of Campinas, 2012)
- Taking the initiative with ab initio protein modelling, by Invitation (Dundee Bioinformatics Symposium Organisers, 2011)
- Structure Solution by Molecular Replacement using ab initio protein models, by Invitation (IUCr 2011 Organising Committee, 2011)
- Searching for PEX13 in trypanosomatids: three surprises, by Invitation (43rd Microsymposium on glycosomes, trypanosomatid metabolism and drug discovery' 2011, 2011)
- Ab initio modelling: from Holy Grail to everyday protein bioinformatics tool, by Invitation (Wellcome Sanger Centre, 2010)
- Ab initio modelling: from Holy Grail to everyday protein bioinformatics tool, by Invitation (STFC Seminar Organisers, 2009)
- Ab initio modelling: from Holy Grail to everyday protein bioinformatics tool, by Invitation (ISBM/ECCB 2009 Organising Committee, 2009)
- Distribution and evolution of autophagy proteins in unicellular eukaryotes, by Invitation (organisers, 2008)
- Fructose-1,6-bisphosphatase, a surprising yet promising drug target in Leishmania, by Invitation (39th Microsymposium on glycosomes, trypanosomatid metabolism and drug discovery' , 2007)
- Autophagy and related processes in trypanosomatids:insights from genomic and bioinformatics analyses, by Invitation (Organising Committee, 2006)
- Structural flexibility in Trypanosoma brucei enolase revealed by X-ray crystallography and molecular, by Invitation (Organising Committee, 2005)
- Selected Abstract 'Autophagy and related processes in trypanosomatids: insights from genomic and ..', by Invitation (BioScience2005, 2005)
- Analysis of the crystal structure of Trypanosoma brucei enolase, by Invitation (Organising Committee, 2003)
- Preliminary analysis of enzymes of the carbohydrate metabolism of Trypanosoma brucei, by Invitation (Organising Committee, 2002)
- Co-chair of Microsymposium 12 "Structural Bioinformatics" at ECM31 conference, Oviedo, Spain, Aug 18 (2018)
- CCP4 Study Weekend, Nottingham, UK, by Invitation (2016 - 2017)
- British Biophysical Society 2016 Biennial Meeting 2016, by Invitation (2015 - 2016)
- CCP4/APS School in Macromolecular Crystallography 2016, by Invitation (2015 - 2016)
- CCP4/APS School in Macromolecular Crystallography 2016, by Invitation (2015 - 2016)
- IFSC/CCP4 Macromolecular Crystallography School 2016 , by Invitation (2015 - 2016)
- IFSC/CCP4 Macromolecular Crystallography School 2016, by Invitation (2015 - 2016)
- 12th International Conference on Biology and Synchrotron Radiation, SLAC, Stanford 2016, by Invitation (2015 - 2016)
- European Crystallography Meeting (ECM29), by Invitation (2014 - 2015)
- Dundee Bioinformatics Symposia, by Invitation (2014 - 2015)
- University of Campinas, by Invitation (2012 - 2013)
- CCP4 Study Weekend 2013, by Invitation (2012 - 2013)
- European Crystallography Meeting (ECM27), by Invitation (2012 - 2013)
- 43rd Microsymposium on glycosomes, trypanosomatid metabolism and drug discovery' , by Invitation (2011 - 2012)
- IUCr 2011 Organising Committee, by Invitation (2011 - 2012)
- First International Meeting on Antimicrobial peptides, by Invitation (2009 - 2010)
- ISBM/ECCB conference 2009, Stockholm, by Invitation (2009 - 2010)
Editorships
- Nucleic Acids Research (Executive Editor, 2016 - present)
- From Protein Structure to Function with Bioinformatics (Book Editor, 2007 - present)
Event Roles
- Biochemical Society Workshop: Protein Modelling and Structure-Based Function Prediction, June 2016 (Biochemical Society, 2015 - 2016)
Examination Roles
- University of Oxford, DPhil (PhD, 2020)
- Imperial College London, PhD (2017)
- University of Edinburgh, PhD (2017)
- University of Edinburgh, PhD (2013)
- University of East Anglia (2018 - 2019)
- University of Cambridge (2018 - 2019)
- Imperial College London (2016 - 2017)
External Administrative or Committee Roles
- ISB Biocuration Award Committee member, Invited (International Society for Biocuration, - 2021)
- Executive Committee Member of CCP4 (Collaborative Computing Project 4) (2017 - present)
- Member of the External Advisory Board of IUPHAR/BPS Guide to PHARMACOLOGY database (2017 - present)
- Member, Advisory Committee: Dundee Resource for Protein Structure Prediction and Sequence Analysis (2014 - present)
- Member of Jalview Scientific Advisory Committee (2011 - present)
Grant Application Assessments
- External Post-submission (Biotechnology and Biological Sciences Research Council (BBSRC), 2022 - present)
- External Post-submission (2020 - present)
Internal Administrative or Committee Roles
- ISMIB Director of Post-Graduate Research (School / Institute, 2020 - present)
- IIB Director of Post-Graduate Research (School / Institute, 2018 - 2020)
- Associate Faculty Member in Protein Bioinformatics at the Computational Biology Facility (University, 2017 - present)
Professional Body Memberships
- International Society for Computational Biology (Member)
- Biochemical Society (Member, 2005 - present)