The Team

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Group Leader

Head of Department of Chemistry

University of Strathclyde

Tell Tuttle’s research is focused on the concept of “reducing molecular search spaces”. The group works closely with experimental colleagues to address practical problems in the areas of molecular structure, molecular recognition, molecular reactivity and molecular properties. The understanding derived from the computational and theoretical methods employed in this research results in the generation of predictive models that are used to design molec- ular-based solutions to arange of prob- lems, from fields as diverse as fundamental chemistry through to drug discovery,and from nanotechnology through to organic elec- tronics.

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Group Leader

Reader in Chemistry

University of Strathclyde

David Palmer's research group develop theory, simulation and informatics methods to study complex biochemical systems.  Recent projects have included enzyme redesign for uses in food manufacturing (in collaboration with Chr. Hansen A/S) and the development of new methods for computational drug discovery (in collaboration with GSK and AstraZeneca).

David is also Founding Director and Chief Data Scientist of Dxcover, a University spinout company that is developing the world's first cost-effective diagnostic for brain tumours.

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Dr. James Carter

Postdoc

Palmer lab

Accelerating Drug Discovery using Artificial Intelligence

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Dr. Amritpal Singh

Postdoc

Tuttle Lab

Computational Study of Mechanism of Surface Enhanced Raman Spectroscopy (SERS)

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Robert Cordina

PhD student

Tuttle Lab

Using Molecular Dynamics simulations to understand chocolate behaviour

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Daniel Fowles

PhD student

Palmer lab

Towards First-Principles Calculation of Physicochemical Properties in Pharmaceutical Drug Discovery

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Alexander van Teijlingen

PhD student

Tuttle lab

Reducing peptide self-assembly search space via active machine learning of sample space.

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Jonathan Conn

PhD student

Palmer lab

Augmenting Molecular Simulation with Artificial Inelligence

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Krystian Kolodziejczak

PhD student

Murphy and Tuttle labs

Elucidation of radical and single electron transfer mechanism via DFT

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Rose McHardy

PhD student

Palmer lab

Artificial Intelligence in Computational Drug Discovery

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Abdullah Ahmad

PhD student

Palmer lab

Multiscale Models for Molecular Solvation

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Hamish Swanson

PhD student

Tuttle lab

Peptoid self-assembly

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Hayley Russell

PhD student

Palmer lab

(co-supervised with Dr David Nelson and Dr Marc Reid)

Machine Learning for Directed Screening

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Ross Urquhart

PhD Student

Tuttle Lab

Accelerating Catalyst Design Through Machine Learning

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Madeleine Taylor

PhD Student

Palmer Lab

Funded by Pfizer

Development of molecular-solvent interaction descriptors to improve accuracy of Quantitative Structure Retention Relationship models

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Ivan Yankov

PhD Student

Palmer Lab

(co-supervised with Prof Glenn Burley)

Next-Generation Design of Transcriptional Regulators: Uniting Experimental Analysis with Artificial Intelligence

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Loren Christie

PhD Student

Doctorate at Work, Dxcover

Cancer Diagnostics using FTIR and AI

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Siobhan Connal

PhD Student

Doctorate at Work, Dxcover

Multicancer early detection using FT IR spectroscopy and machine learning