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We have 29 computational drug design PhD Projects, Programmes & Scholarships

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computational drug design PhD Projects, Programmes & Scholarships

We have 29 computational drug design PhD Projects, Programmes & Scholarships

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PhD in Chemistry: Theory and Algorithms for ML Integrated Multiscale Electronic Structure

Cardiff University
Cardiff School of Chemistry
This PhD project will advance next‑generation multiscale electronic structure methods by integrating machine‑learning models with hierarchical QM/QM techniques. Read more
 Supervisor: Dr A Logsdail
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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PhD in measuring and mathematical modelling of N-carboxy anhydride copolymerisation kinetics for predictive pharmaceutical formulation design

University of Nottingham
School of Pharmacy
We are looking for candidates for a PhD project at the interface of polymer chemistry, reaction kinetics and mathematical modelling to predict copolymer properties from reaction conditions. Read more
 Supervisors: Dr G Mantovani, Prof L Martinez-Pomares
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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PhD in measuring and mathematical modelling of N-carboxy anhydride copolymerisation kinetics for predictive pharmaceutical formulation design

University of Nottingham
School of Pharmacy
We are looking for candidates for a PhD project at the interface of polymer chemistry, reaction kinetics and mathematical modelling to predict copolymer properties from reaction conditions. Read more
 Supervisors: Dr M Zelzer, Dr G Mantovani, Dr R Graham
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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Microfluidic Encapsulation of biologics into Nanomedicines

Queen’s University Belfast
School of Pharmacy
Progress in drug design has led to the development of new peptides, proteins, and drug molecules. However, the limited ability to deliver selectively these molecules at well-defined dosing regimens and without invoking drug-resistance remains a significant challenge. Read more
 Supervisor: Prof D Lamprou
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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(EPSRC CASE) Elevating Matched Molecular Pair Analysis with AI

The University of Manchester
Division of Pharmacy and Optometry
Discovering and designing new medicines is one of most important and rewarding challenges faced by chemical scientists. Maximising the impact of computational tools to improve the speed of the drug discovery process and the quality of the compounds that are invented has great potential to improve human health and wellbeing. Read more
 Supervisors: Dr A Leach, Dr C Trujillo , Dr L Sotorrios
 15 June 2026  PhD Research Project  Competition Funded PhD Project (UK Students Only)
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MSc by Research: Functional mechanisms and inhibition of biomedically important calcium channels

University of Dundee
Faculty of Life Sciences
Ion channels are key components in every cell, bridging cell and organellar membranes for the traversal of charged species. Calcium channels are of particular physiological importance because of the central role calcium plays in cell signalling and cell death. Read more
 Supervisors: Prof U Zachariae, Dr R Sknepnek
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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Deconstructing biofilms

University of York
York Biomedical Research Institute
Lead supervisor. Dr Agnes Noy. Co-supervisors. Dr Martin Fascione and Prof Gavin Thomas. The student will be registered with the Department of Physics, Engineering and Technology. Read more
 Supervisors: Dr AN Noy, Dr M A Fascione, Prof G Thomas
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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Computational and machine learning driven development of new polysialyltransferase (ST8SiaII) inhibitors against metastatic cancer

University of Bradford
Faculty of Life Sciences
  Research Group: Institute of Cancer Therapeutics
Polysialic acid (polySia) is a carbohydrate polymer important for embryonic development. PolySia is absent in healthy adult tissues whereas overexpressed in several tumours. Read more
 Supervisors: Dr V Jha, Prof R Falconer
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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Towards robotic 2D-IR spectroscopy for biomolecular fingerprinting of cancer

University of York
School of Physics, Engineering and Technology
  Research Group: Healthcare Engineering
Ultrafast 2D-IR spectroscopy is a new variant of Infrared spectroscopy which offers a unique analytical method for characterizing complex biomolecular samples. Read more
 Supervisors: Dr M Chauhan, Prof N Hunt
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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Medical Research Council-funded DTP in Interdisciplinary Biomedical Research

University of Warwick
Warwick Medical School for MRC-funded Doctoral Training Partnership (MRC DTP)
Several fully funded four-year studentships are available for September 2026 to join Warwick's MRC-funded Doctoral Training Partnership (MRC DTP). Read more
 Funded PhD Programme (UK Students Only)  MRC Doctoral Landscape Award
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Development of chemical tools and bioactive compounds to explore the importance of enzyme activity in cancer diseases

University of Bradford
Faculty of Life Sciences
Diversity-oriented synthesis (DOS) is a modern chemical methodology, which aims to synthesise small molecules that cover new chemical space with the possibility of finding unexplored biological targets or pathways that may be important for disease progression. Read more
 Supervisors: Prof K Pors, Dr V Jha, Dr Muhammad Wahajuddin
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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Predictive modelling and control of low-cost droplets for micro-engineering

University of Birmingham
School of Mathematics
Advances in manufacturing science have resulted in unprecedented research and development in the design of ‘micro-swimmers’. microscopic entities that navigate fluid environments by converting some form of energy–e.g. Read more
 Supervisor: Dr N D Desai
 Year round applications  PhD Research Project  Funded PhD Project (UK Students Only)
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Polysialyltransferases as a target in metastatic cancer

University of Bradford
Faculty of Life Sciences
  Research Group: Institute of Cancer Therapeutics
Polysialic acid plays an essential role in neuronal development, but by adulthood is absent from the human body. Its biosynthesis is regulated by two polysialyltransferases. Read more
 Supervisors: Prof R Falconer, Dr S Shnyder
 Year round applications  PhD Research Project  Self-Funded PhD Students Only
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Microscale Mechanisms: The Influence of Particle Geometry on Aerodynamic Resuspension

University of Bristol
School of Chemistry
Applications are invited for a 4 year PhD studentship starting in Autumn 2026 as part of the EPSRC CDT in Aerosol Science. Project Overview. Read more
 Supervisors: Dr M. D. W. Davies Wykes, Dr R. T. Thomas, Dr E. K. Kruger
 Year round applications  PhD Research Project  Competition Funded PhD Project (Students Worldwide)
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