The Wilson Lab is situated in the Leicester School of Pharmacy at De Montfort University, Leicester. Our research interests include computational enzymology, theoretical chemistry, computational bioanalysis, and cheminformatics. We work with collaborators internationally and have strong industry connections.
PhD in Computational Biochemistry, 2017
University of Bath
MChem in Chemistry, 2014
University of Bath
Philippe is a Lecturer in Biological Chemistry and Chemical Analysis at De Montfort University, Leicester. His research interests include computational enzymology, theoretical chemistry, computational bioanalysis, and cheminformatics. He is a Member of the Royal Society of Chemistry, and Royal Society of Biology, and a Fellow of the Higher Education Academy, and Linnean Society of London. In 2018 he was named in the prestigious Forbes Magazine 30 Under 30 Listing in Science & Healthcare, Europe.
Ketan is a Senior Technician and Researcher within the Leicester School of Pharmacy at DMU. He works within the Chemistry for Health Section, with a number of research groups, significantly contributing to the high level of scientific outputs produced by the section. Within the Wilson Lab, Ketan provides a Medicinal Chemistry focus, and the experimental/analytical link directly in the laboratory. Ketan has more than 20 peer-reviewed papers, and is highly cited.
Rupika carried out her first course in Biomedical Science at DMU, before undertaking an MSc by Research. Following this, Rupika’s PhD is entitled Uncovering the Secrets of the Eggshell: Answering the Age-Old Question, and is an interdiciplinary research project covering the fields of biomineralisation, multiscale computational modelling, state-of-the-art chemical analysis and microbiology. Rupika will be working with a transdisciplinary research team, with travel to specialist institutions. In February 2018 Rupika presented initial work at the Linnean Society of LondonTransdisciplinary perspective in conservation biology and genetics symposium, at Burlington House in London.
Eggs and derived products form an integral part of the food chain. Hence, research into egg structure, function, and production is prevalent. The past decade has seen more than two thousand papers published in relation to avian egg science, these works supplem enting our understanding of the nature of the avian egg, and its biological, chemical, and physical properties. Eggshell colour, strength and chemical composition, poultry nutrition, and genetics and have all been intensively studied recently, with signifi cant progress being made in a number of these areas. Indeed, with the prevalence of robust theoretical techniques, it is now commonplace to combine experimental investigations with theory, providing a balanced and interdisciplinary perspective. There is, h owever, still a gulf of understanding in terms of the structure and formation of the avian egg. In particular, the manner in which the shell itself begins to form on the outer albumin, and the fascinating properties it exhibits.
Isotope effects are some of the most subtle yet important probes into reaction mechanism and geometry change, yet some factors that affect their direction and magnitude were still largely unknown. A quick literature search for kinetic isotope effect can produce thousands of results, but how reliable is the data, how reliable are the calculations, and how reliable are the interpretations?In 2014, it was postulated that it was necessary to explore some of the most tenacious questions in the field, by concentrating on a methodological investigation of the nature of isotope effects, and how they are affected by various aspects of the system they represent, such as environment and system size, whilst carrying out method validation on the electronic structure methods employed. After all, understanding interactions on a supramolecular scale begins first by understanding atomic and molecular factors. Therefore, a series of projects designed to explore the basis of the current system and offer robust computational recommendations for the future calculation and interpretation of isotope effects were embarked upon, based on mainly small models as applied to supramolecular systems. Throughout the past few years, the effects of the environment, the vibrational description of the systems, the level of inclusion of molecules within the calculation, and the impact of the original electronic structure methods used to treat these systems have all been considered. Additionally, the SULISO suite of programs has been applied to the calculation of not only organic and enzymic entities, but also organometallic reactions and catalytic cycles, showing the inherent transferability of the SULISO protocols within the chemical field.