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Molecular Modelling

The EPSRC has funded the new Centre for Doctoral Training in Theory and Modelling in Chemical Sciences (TMCS CDT). The aim is to transform graduate training in theoretical and computational chemistry, and to deliver the research leaders of the future required both by academia and industry. Our students will receive integrated, in-depth training in the core activities of fundamental theory, software development, and application to contemporary research challenges. TMCS is formed as a consortium of leading research groups from the Universities of Oxford, Bristol and Southampton, so our students will benefit from expertise right across a range of sectors.

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Paul Brennan
Principal Investigator in Medicinal Chemistry, Structural Genomic Consortium (SGC) and Nuffield Department of Medicine

Medicinal chemistry, molecular modelling, epigenetics, chemical biology, compound screening libraries

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Steve Davies
Waynflete Professor of Chemistry, Department of Chemistry

Synthetic chemistry, medicinal chemistry, scale-up chemistry, compound screening libraries, assay development, automated screening, molecular modelling, virtual libraries

Read about Steve's spin out company, VASTox here.

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David Gavaghan
Professor of Computational Biology, Department of Computer Science

Computational modelling, cardiac cell modelling, computational biology, medical imaging, computational electrochemistry, modelling of drug effects on cellular physiology

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Rob Paton
University Lecturer, Department of Chemistry

Molecular modelling, virtual screening, computational methods

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Angela Russell
University Lecturer, Department of Chemistry

Medicinal chemistry, compound libraries, assay development, automated screening, molecular modelling, virtual libraries