Alumni

Dr Joseph Redshaw (Sep 2018; thesis awarded Jun 2024)
3 co-authored publications

Dr Alexe Haywood (Sep 2018; thesis awarded Jan 2024)
(subsequent destination: Postdoc, University of Birmingham)
3 co-authored publications
Winner of the Poster Prize UK QSAR Spring 2022
Winner of the School of Chemistry Synthesis and Catalysis/Biological Chemistry Presentation Prize

Dr Sam Gaughan (Sep 2016; thesis awarded Aug 2023)
1 co-authored publication

Dr Steve Oatley (Sep 2016; thesis awarded Feb 2023)
(subsequent destination: Sygnature)
Winner of the Dan Eley Prize (2019)
Winner of the Lenovo AI at University Challenge (2018)
3 co-authored publications

Dr Ellen Guest (Sep 2017; thesis awarded April 2022)
(subsequent destination: Senior Portfolio Manager - EPSRC)
Winner of the Sir Fraser & Norma Stoddart Prize for Outstanding Citizenship and Academic Excellence in Postgraduate Research (2023)
6 co-authored publications

Dr Francois Auvray (Sep 2015; thesis awarded March 2020)
(subsequent destination: formed start-up company HyprView)
3 co-authored publications

Dr Sarah Jasim (Sep 2015; thesis awarded October 2020)
(subsequent destination: teacher, College of Science, Wasit University, Iraq)
2 co-authored publications

Dr Saleh Alarfaji (Sep 2014; thesis awarded Oct 2018)
(subsequent destination: lecturer, King Khalid University, Abha, Saudi Arabia)
1 co-authored publication

Dr Christian Suess (Sep 2013; thesis awarded Nov 2017)
(subsequent destination: postdoc with Charlie Laughton, School of Pharmacy, University of Nottingham)
1 co-authored publication

Dr Zhuo Li (Sep 2013; thesis awarded Nov 2017)
(subsequent destination: Postdoc Creighton University)
Winner of the Sir Fraser & Norma Stoddart Prize for Outstanding Citizenship and Academic Excellence in Postgraduate Research (2019)
6 co-authored publications

Dr Fouad Husseini (Sep 2012; thesis awarded Nov 2016)
(subsequent destination: Postdoc with Prof Peter Coveney, UCL)
3 co-authored publications

Dr Rachel Hill (Sep 2011; thesis awarded Nov 2015)
1 co-authored publications

Dr John Baker (Sep 2010; thesis awarded Nov 2014)
(subsequent destination: Scientific programmer, STFC Daresbury)
3 co-authored publications

Dr Mengchen Pu (Sep 2009; thesis award Dec 2013)
(subsequent destination: Postdoc at the Institute of Biophysics (IBP, CAS) China)
1 co-authored publication

Dr Eleanor Turpin (Sep 2008; thesis award Dec 2012)
(subsequent destination: Postdoc with Dr Boyan Bonev, University of Nottingham)
5 co-authored publications

Dr Abrar Hussain (Sep 2007; thesis awarded Mar 2012)
(subsequent destination: Postdoc with Prof Skolnick, Georgia Tech)
2 co-authored publications

Dr Hainam Do (Sep 2007; thesis awarded Mar 2011)
(subsequent destination: Postdoc with Dr Besley, University of Nottingham)
10 co-authored publications

Dr Haydn Williams (Sep 2005; thesis awarded Jul 2011)
(subsequent destination: Health IT)

Dr Craig Bruce (Sep 2005; thesis awarded Nov 2010)
(subsequent destination: Scientific Computing Specialist, AstraZeneca)
2 co-authored publications

Dr Petros Kountouris (Sep 2006; thesis awarded Jul 2010)
(subsequent destination: research associate with Dr Christodoulou, University of Cyprus)
2 co-authored publications

Dr Stephen Hamby (Sep 2005; thesis awarded Jul 2010)
(subsequent destination: postdoc with Dr Chuzhanova, University of Central Lancashire)
1 co-authored publications

Dr Clare-Louise Evans (Sep 2005; thesis awarded May 2010)
(subsequent destination: postdoc with Prof Daggett, University of Washington)
2 co-authored publications

Dr Pooja Jain (Feb 2006; thesis awarded Feb 2010)
(subsequent destination: postdoc with Prof Sternberg, Imperial College London)
3 co-authored publications

Dr Benjamin Bulheller (Oct 2005; thesis awarded Jul 2009)
(subsequent destination: research scientist, Novartis)
9 co-authored publications

Dr Mike Stout (Mar 2005; thesis awarded Jun 2009)
(subsequent destination: Centre for Plant Integrative Biology, University of Nottingham)
7 co-authored publications

Dr T. John McNeany (Oct 2001; thesis awarded Sep 2005)
(subsequent destination: Unix sys admin)
2 co-authored publications

Dr Matt Wood (Oct 2001; thesis awarded Jun 2005)
(subsequent destination: postdoc with Prof Champagne, Weill Medical College of Cornell University)
2 co-authored publications

Dr Tim Watson (Oct 2001; thesis awarded Feb 2005)
(subsequent destination: Unix sys admin)
7 co-authored publications

Dr Zhijing Dang (Oct 2000; thesis awarded Aug 2004)
(subsequent destination: postdoc with Prof Luhua Lai, Beijing)
1 co-authored publications

Dr Benjamin P. Blackburne (Oct 2000; thesis awarded Mar 2004)
(subsequent destination: postdoc with Dr R. Goldstein, National Institute of Med. Research, London)
4 co-authored publications

Dr Bang Huynh
(subsequent destination: Junior Research Fellow, New College, University of Oxford)

Dr Bruno Falcone
(subsequent destination: Sygnature)

Dr Yue Hu
(subsequent destination: Phenotypeca)

Dr Samuel Boobier
(subsequent destination: Lhasa)
4 co-authored publications

Dr Ivan Derbenev
(subsequent destination: Astex Pharmaceuticals)
2 co-authored publications

Dr Magnus Hanson-Heine
6 co-authored publications

Dr Arnaldo Filho
(subsequent destination: Exscientia)
1 co-authored publication

Dr Lilianna Bryjko
(subsequent destination: HPC Scientific Computing Officer at AstraZeneca)

Dr Allan Beveridge
(subsequent destination: Phylogica, Australia)

Dr David Robinson
(currently Senior Lecturer, Nottingham Trent University)
9 co-authored publications

Dr Oksana Ismailova
(subsequent destination: Heat Physics Department, Academy Sciences of Uzbekistan)

Dr Ramachandran Gnanasekaran
(subsequent destination: postdoc with Prof. David M. Leitner, University of Nevada, Reno)

Dr Jaume Bacardit
(currently Reader in Machine Learning, School of Computing, University of Newcastle)
7 co-authored publications

Dr Daniel Barthel
(subsequent destination: postdoc with Dr Natalio Krasnogor, Computer Science, Nottingham)
2 co-authored publication.

Dr James Melville
(subsequent destination: Cresset BioMolecular Discovery)
11 co-authored publications

Dr Mark Oakley
(subsequent destination: postdoc with Dr. Richard Wheatley, Nottingham)
7 co-authored publications

Dr David Rogers
(subsequent destination: postdoc with Jan Jensen, Copenhagen)
14 co-authored publications

Dr Yuri Bykov
(subsequent destination: postdoc with Prof Edmund Burke, Computer Science, Nottingham)
1 co-authored publications

Dr Andrew T. B. Gilbert
(subsequent destination: postdoc with Prof Peter Gill, Australian National University)
3 co-authored publications

Dr Natalio Krasnogor
(currently Professor, School of Computing, University of Newcastle)
12 co-authored publications

Dr Samita Bhattacharjee
(subsequent destination: Tata Steel, India)
3 co-authored publications

Dr Nick Besley
(deceased)
18 co-authored publications

Dr Pere Constans
(subsequent destination: postdoc with Professor Gustavo Scuseria, Rice University, Texas)
3 co-authored publications

Dr Ryuichi Kiyawa
(subsequent destination: Scientist, Shionogi & Co. Ltd., Japan)

Jen Coughlan

Tim Spankie

Mari Chikvaidze
(subsequent destination: PhD with Prof Jeremy Smith, Univ Heidelberg)

Caitlin Lewis (2024)
Electronic Structure Calculations of Protein Circular Dichroism

David Ogunsanya (2024)
Computational Tools for Sustainable Chemistry

Jamie Andrews (2024)
Exploring the potential behind AMBER Softcore Thermodynamic Integration for CDK12

Jacob Hayward (2023)
Predicting solvent sustainability with machine learning

Emma Peacock (2023)
Improving Solvent Maps for Sustainable Solvent Selection

Callie-Anne Glass (2022)
Chemometric Techniques for Solvent Selection

Hewan Zewdu (2022)
Machine Learning for Drug Discovery

Abhay Baburaj (2022)
Full Atomistic Simulations of (CUG)₁₂ Repeats to Inform Drug Discovery

Kieran Bird (2022)
The Computational Modelling of Complexes of Flavopiridol with CDK9/CycT1, CDK12/CycK and HSA

Philip Wroe (2021)
Evaluation of Vectorial and Graph Kernel Method Performance on Aqueous Solubility Predictions

Oliver Ekwalla (2021)
Automatic Extraction of Information on Regioselectivity from Scientific Literature

Daniel Foster (2021)
A Computational Investigation into the Action of Biological Light Harvesting Complexes

Ariane Patel (2020)
Molecular Dynamics Simulations to Investigate avb3 Integrin Inhibitors

Naomi Dyer (2019)
Computation of Protein Near-UV Circular Dichroism
2 co-authored publications

Trudi Fisher (2019)
Understanding the Conformations of Small Molecules: Using RDCs to provide conformational restraints

Alexe Haywood (2018)
Molecular Dynamics Simulations of the MS2 Bacteriophage - F Pilus Interface
(subsequent destination: PhD with Prof Jonathan Hirst, Univ of Nottingham)

Emily Weatherdon (2017)
Circular dichroism spectroscopy of beta-sheet proteins in the far-UV

Ellen Guest (2017)
The Influence of Aromatic Side Chain Residues on Protein Near-Ultraviolet Circular Dichroism Spectra
(subsequent destination: PhD with Prof Jonathan Hirst, Univ of Nottingham)
6 co-authored publications

Alice Coaker-Basdell (2017)
pi-pi Stacking in Ligand Binding to the Integrin avb6

Fiona Salmon (2016)
2D QSAR Molecular Modelling of av Integrin Antagonists

Thomas Letchford (2015)
Theoretical Study into the Accuracy of Calculated Circular Dichroism

Ben Neal (2014)
Molecular Simulations

Sam Mulholland (2013)
The Nisin-Lipid II Complex
(subsequent destination: PhD with Prof Jonathan Hirst, Univ of Nottingham)

Sam Smith (2012)
Theoretical Study of Protein Circular Dichroism in the near-UV

Rachel Hill (2011)
Molecular Dynamics Simulations of Myoglobin
(subsequent destination: PhD with Prof Jonathan Hirst, Univ of Nottingham)
1 co-authored publication

John Baker (2010)
Modelling polymer solubility in supercritical CO₂, using a QSAR approach (subsequent destination: PhD with Prof Jonathan Hirst, Univ of Nottingham)
3 co-authored publications

Benson Spowage (2009)
Computer-Aided Molecular Design: Interpreting Computational Models
1 co-authored publication

Riccardo Fabris (2008)
Solubility of Polymers in Supercritical CO₂ using QSAR

Michael Douglas (2007)
Molecular Similarity

Daniel Simpson (2007)
Modelling the Solubility of Polymers in Supercritical Carbon Dioxide

Owen Bowyer (2006)
Calculations of Oligourea Circular Dichroism From First Principles

Jenna Riley (2006)
Molecular Similarity
1 co-authored publication

Iain Moal (2006)
Docking Of Ulapualide A and Structurally Related Compounds To alpha-Actin
2 co-authored publications
(subsequent destination: PhD with Dr Paul Bates, Cancer Research UK)

Joe Todman (2005)
A Theoretical Study of the Infrared Spectra of Bacteriorhodopsin

Kevin Lovelock (2004)
1 co-authored publication
(subsequent destination: PhD with Prof Rob Jones, Univ Nottingham)

Karl Colella (2003)
Electronic Circular Dichroism Spectra of Proteins from First Principles Calculations
1 co-authored publication

John Duncan Scott (2001)
Theoretical Calculations of the Infrared Spectra of Proteins

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