Group Members

  • Dr. Charles Laughton
    Charles Laughton is a Reader in Molecular Recognition and Group Leader. His first degree was in Chemistry, and his D.Phil. was in synthetic organic chemistry. A post-doc position with the CRC Cancer Chemotherapy Research Group at Aston University in Birmingham sparked an interest in Anti-Cancer drug design and molecular modelling. This specialisation was further developed during a post-doc with the CRC Biomolecular Structure Unit at the Institute of Cancer Research in London. He moved to Nottingham in 1996.
  • Dr. Ardita Shkurti
    Ardita joined the group in August 2013 as a Postdoctoral Research Fellow funded by a joint EPRSC/NSF grant. She has a core expertise concerning Computer Science Engineering (BSc and MSc in Computer Science Engineering at respectively Università degli Studi di Modena e Reggio Emilia and Politecnico di Torino, and PhD in Information and Systems Engineering at Politecnico di Torino). In particular, Ardita's research focuses on software and hardware optimization of algorithms applied to molecular dynamics simulation and molecular simulation data analysis.
  • Dr. Eleanor Turpin
    Eleanor joined the group as a Research Fellow in June 2014 working on models of polymer-drug interactions. Previously she completed her PhD on computational studies of folding and binding of polypeptides with Jonathan Hirst in the School of Chemistry at the University of Nottingham. Following a post-doc placement as a business engagement officer for the MidPlus HPC constorium she was awarded the EPSRC Postdoctoral Prize to work in the laboratory of Boyan Bonev in the School of Life Sciences (Nottingham) to develop antimicrobial peptides both in silico and experimentally. Eleanor's current research is on using a multi-scale simulation methodology, ranging across QM level calculations, atomistic molecular dynamics simulations and course grained approaches such as MARTINI and DPD, to develop solubility parameters that can predict the miscibility of drug molecules and polymers for making solid dispersions.
  • Miss Maysaa Saleh
    Maysaa joined the group in October 2010 as a PhD student, funded by the Islamic Development Bank (IDB) in Jeddah, Kingdom of Saudi Arabia. Her Masters degree was in synthetic organic chemistry. Her PhD project, in collaboration with Prof. Chris Moody in the School of Chemistry is aimed at development of a new family of anti tumour agents based on triazole scaffolds, which are designed to stabilize G-quadruplex structures selectively. G4 ligands have been shown to inhibit telomerase activity in telomere maintainance mechanism and subsequently abrogate tumourigenicity in vivo. Maysaa has used QM studies to investigate the regioselectivity of 1,3-dipolar cycloaddition reactions that are key to her ligand synthesis, has synthesised a range of novel triazene ligands, and is now evaluating their DNA-binding activity.
  • Miss Tiangong Lu
    Tiangong joined the group as a second-year PhD student in Sep 2011. She was previously supervised by Prof. Shudong Wang in the School of Pharmacy, before Prof. Wang relocated to the University of South Australia in 2011. Tiangong’s PhD project, in collaboration with Dr. Tracey Bradshaw in the School of Pharmacy is aimed at design, synthesis and evaluation of novel small-molecule inhibitors which target mitotic kinases, induce apoptosis and lead to DNA damage.
  • Mr. Robert Mackenzie
    Robbie joined the group as a PhD student in May 2011. He has designed a multi-scale model for simulating the nanoprecipitation of polyglycerol adipate with small drug molecules. These drug loaded polymers can be used to slowly deliver drugs within the body. However experimentally it is difficult to encapsulate large amounts of drug.
    The simulations should provide insights into how to solve this problem and improve the efficiency of these drug delivery systems. Robbie’s PhD is part of the CDT in Targeted Therapeutics and Formulation Sciences 2010 cohort, funded by EPSRC and AstraZeneca.
  • Mr. Twana Salih
    Twana joined the group in March 2012 as a PhD student, funded by a Kurdistan Regional Government (KRG) Scholarship. He has achieved a bachelors degree in pharmacy and a masters degree in pharmaceutical chemistry. His PhD, in collaboration with Dr Weng Chan, is concerned with the structure-based design for cancer therapy. He is specifically targeting the inhibition of protein-protein interactions between components of the shelterin complex in telomeres.
  • Miss Ioanna Styliari
    Ioanna joined the group in May 2013 for her PhD. Her background is in Physics (BSc, University of Athens) and in Biomedical Engineering (MSc, University of Patras). In her PhD she will investigate the agglomeration of nanoparticles using molecular dynamics (multiscale models) for an improved drug-delivery system. The results of the simulation studies will be compared with the experimental data that she will collect in parallel. Ioanna’s PhD is part of the CDT in Targeted Therapeutics and Formulation Sciences 2012 cohort, funded by EPSRC, Alliance-Boots, AstraZeneca, GlaxoSmithKline, Pfizer and Quotient Bioresearch.

Former members of the group include:

Dr. Mark Beardsell
Dr. Michele Burke
Dr. David Chan
Dr. Kim Cheng
Dr. Abigail Emtage
Dr. Michael Garton
Dr. Lorna Gillett
Dr. Christina Grindon
Dr. Sarah Harris
Dr. Bartholomaeus Hirt
Dr. Verity Hudson
Dr. Supat Jiranusornkul
Dr. Lucy Johnson
Dr. Adnan Malik
Dr. Mike Mazanetz
Dr. Chanisorn Ngaojampa
Dr. Sean O'Brien
Dr. Angelo Pugliese
Dr. Tummala Reddy
Dr. Julie Roy
Dr. Zara Sands
Dr. Edward Sherer
Dr. Hao Wang
Dr. Dan Warner
Dr. Ian Withers