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Group Members

 

Leader(s)

Dr Alessandro Pandini Dr Alessandro Pandini
Senior Lecturer in Computer Science
My research activity focuses on the development and application of computational methods to study protein dynamics and its role in protein-ligand binding, protein-protein interactions, and protein design. I obtained my PhD in Computational Chemistry at the University of Milan-Bicocca under the supervision of Prof. Laura Bonati. As part of her research group I contributed to the unveil the molecular mechanism of toxic response mediated by binding of dioxins to the Aryl hydrocarbon Receptor. In 2008 I was awarded a Marie Curie Inter European Fellowship to work at the MRC National Institute for Medical Research (NIMR) under the supervision of Dr. Willie R. Taylor and Dr. Jens Kleinjung. From 2011 to 2014 he was a BBSRC-funded postdoctoral research assistant in the group of Prof. Franca Fraternali at King’s College London working on methods to investigate allosteric regulation, and to analyse protein-protein interaction interfaces and networks. During my career I developed and applied novel approaches combining structural bioinformatics and molecular simulation to address challenging biological questions, especially in relation to protein function, allosteric regulation and drug design. I introduced novel points of view in the definition of the limits and potential of molecular docking on theoretical models and in the use of molecular dynamics for drug design and medicinal chemistry. In particular, I developed an innovative computational method to detect local functional motions and to describe allosteric transmission in protein structures. Most recently, in collaboration with Dr. Arianna Fornili (QMUL), I contributed to the development of a novel strategy for biasing the sampling of local states to drive the global conformational transitions in proteins. In collaboration with Dr. Shahid Khan (LBNL – Berkeley Lab) and Dr. Willie Taylor, I have contributed to explain the relationships between residue coevolution and molecular dynamics in two bacterial ring assemblies.

Members

Professor David Gilbert Professor David Gilbert
Emeritus Honorary Professor
Professor David Gilbert is Leverhulme Emeritus Fellow, Emeritus Professor of Computing and member of the Computational Biology group in the Department of Computer Science. Previously he was Head of School of Information Systems, Computing and Mathematics, and first Dean of the College of Engineering, Design and Physical Sciences, leading its establishment in 2014-15. In his previous post he was Professor of Bioinformatics at the University of Glasgow where he set up and was Director of the Bioinformatics Research Centre. He holds a BSc in experimental Pyschology and a Masters in Education from the University of Bristol, and a Masters and PhD in Computing from Imperial College, London where his research was into modelling concurrent systems using computational logic. David was an EPSRC Research Fellow at the European Bioinformatics Institute, and a Leverhulme Research Fellow in the Department of Biochemistry and Molecular Biology, University College London when designed and developed the TOPS protein topology computational system. I no longer teach, but previously I was Module leader for Level 1 CS1005 Logic & Computation (BSc Computer Science; BSc Business Computing). Tutor for Level 1 group projects. Supervisor for Final Year BSc Computer Science projects. Supervisor for projects in MSc Data Science & Analytics. Giving guest lectures on Intracellular Signalling and Cancer (BB5514) - biosciences
Dr Lorraine Ayad Dr Lorraine Ayad
Lecturer - Computer Science
Lorraine Ayad is currently a Lecturer in the Department of Computer Science, starting in August 2020. She completed her PhD at King's College London in 2019 with a thesis titled Efficient sequence comparison via combining alignment and alignment-free techniques. Lorraine Ayad's current work lies in the creation of algorithms for Computational Molecular Biology. Specifically, this involves identifying and creating algorithms which can aid biological research and also find ways to improve existing algorithms through the reduction of time or space. Bioinformatics tools implemented by Lorraine Ayad: IsoXpressor - a tool to assess transcriptional activity within isochores. CNEFinder - a tool for the identification of conserved non-coding elements in genomes. SMART - a tool to identify supermaximal approximate repeats in a sequence. MARS - a heuristic tool for multiple circular sequence alignment given a set of circular (DNA or Protein) sequences. hCED - a heuristic tool for cyclic edit distance computation given a pair of circular sequences. 2022 - 2023 CS1701 - Group Project (Level 4) CS1702 - Introductory Programming (Level 4) CS1005 - Logic and Computation (Level 4) Membership I am a Fellow of the Higher Education Academy.
Dr Sarath Dantu Dr Sarath Dantu
Lecturer - Computer Science
Lecturer in Department of Computer Science
Dr Yasoda Jayaweera Dr Yasoda Jayaweera
Associate Lecturer (Education) Computer Science
Yasoda Jayaweera joined the Department of Computer Science, Brunel University in 2020. She completed her PhD in 2022 with a thesis titled "Methodology for identifying alternative solutions in a population based data generation approach applied to synthetic biology". Her research is mainly focused on application of optimisation methods and machine learing to improve design in synthetic biology. Optimisation for alternative design System design Machine learning to improve system design Module leader of CS1701 - Level 1 Group Project and SAS bootcamp (for MSc) Partial duties in CS1703 Data and Information and CS1702 Introductory Programming Tutoring and project supervision in CS1701 Group Project, CS2555 Placement, CS3072/CS3605 Level 6 Final year project, CS5500 MSc dissertation Module reviewer of CS5702/CS5802