PhD Studentship in Generative AI for Structure-Based De Novo Drug Design

De novo drug design seeks to generate novel drug-like molecules computationally, rather than identifying candidates from pre-existing chemical libraries. Read more

Supervisor: Dr . Ballester

3 July 2026 PhD Research Project Funded PhD Project (Students Worldwide)

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Design and Assessment of Innovative Long-Acting Drug Delivery System

Queen’s University Belfast

School of Pharmacy

Current clinical therapies often rely on intermittent drug administration, such as frequent oral tablets or injections, as seen in diabetes management. Read more

Supervisors: Prof R Thakur, Prof D Jones

Year round applications PhD Research Project Self-Funded PhD Students Only

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Computational and Functional Comprehensive Analysis of Natural Variants of GPCRs towards a personalized medicine approach

Queen’s University Belfast

School of Pharmacy

This project investigates the impact of natural genetic variations on a specific G protein-coupled receptor (GPCR), focusing on its structure, function, and drug interactions. Read more

Supervisors: Dr I Tikhonova, Dr B Plouffe

Year round applications PhD Research Project Self-Funded PhD Students Only

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Hybrid ML-Physics Optimisation Framework for Pharmaceutical Reactors

The University of Manchester

Department of Chemical Engineering

Chemical flow reactors, especially crystallisation reactors, play a vital role in pharmaceutical manufacturing. Reactor geometry has a major influence on solute-solvent mixing, which directly affects product consistency, and ultimately drug quality. Read more

Supervisors: Dr N Basha, Dr C Pereira da Fonte

Year round applications PhD Research Project Funded PhD Project (UK Students Only)

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How can DNA condensate despite its negative charge? Implications in genome regulation, antibiotic resistance and gene therapy

University of York

School of Physics, Engineering and Technology

Research Group: Physics of Life

DNA molecules, being highly negatively charged, naturally repel each other. However, in the presence of multivalent ions or specific proteins, they can overcome this repulsion and condense into compact structures. Read more

Supervisor: Dr AN Noy

Year round applications PhD Research Project Self-Funded PhD Students Only

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AI-Driven Structural Biology for Next-Generation Therapeutics Targeting Cancer-Associated Thrombosis and Metastasis

University of Nottingham

School of Pharmacy

Cancer-associated thrombosis (CAT) is a major complication in oncology, contributing to poor outcomes and increased mortality. Elevated levels of von Willebrand factor (VWF) and activation of the contact system drive both thrombus formation and metastatic progression in aggressive cancers such as pancreatic and ovarian. Read more

Supervisors: Prof J Emsley, Dr I Dreveny

Year round applications PhD Research Project Self-Funded PhD Students Only

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Case-specific prediction of BH3-mimetic responses in cancer patients using an integrated experimental and computational quantitative systems pharmacology approach

University of Portsmouth

School of Medicine, Pharmacy and Biomedical Sciences

Applications are invited for a self-funded, 3 year full-time or 6 year part-time PhD project. The PhD will be based in the School of Medicine, Pharmacy and Biomedical Sciences and will be supervised by Dr Gavin Fullstone. Read more

Supervisor: Dr G Fullstone

Year round applications PhD Research Project Self-Funded PhD Students Only

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Smart supramolecular assembly for pathology-responsive and long-acting drug delivery applications

Queen’s University Belfast

School of Pharmacy

This PhD will design and develop ionic liquid–enabled supramolecular formulations capable of in situ sol-to-gel transition triggered by pathological microenvironmental cues such as acidic pH, reactive oxygen species (ROS), and enzyme activity. Read more

Supervisors: Dr LV Vora, Prof R Thakur

Year round applications PhD Research Project Self-Funded PhD Students Only

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Structure-based design of allosteric modulators for G protein-coupled receptors using molecular modelling and pharmacology experiments

Queen’s University Belfast

School of Pharmacy

Almost all physiological processes are regulated through the activation of G protein-coupled receptors (GPCRs). It has become widely accepted that most GPCRs possess binding sites spatially distinct from their natural ligand binding site (orthosteric site), termed as allosteric sites. Read more

Supervisor: Dr I Tikhonova

Year round applications PhD Research Project Self-Funded PhD Students Only

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Design, synthesis and evaluation of novel polysialyltransferase inhibitors as anti- metastatic agents

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 (polySTs). Read more

Supervisors: Prof R Falconer, Dr S Shnyder

Year round applications PhD Research Project Self-Funded PhD Students Only

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Mitigating Synthesisability Loss in 3D Generative Models

University of Liverpool

Department of Chemistry

Can AI design molecules that are both truly novel and actually makeable? This PhD will combine 3D generative modelling, structural informatics, and chemical insight to tackle a central challenge in modern drug discovery, training researchers at the interface of AI, synthesis, and automation. Read more

Supervisors: Dr A Bradley, Dr G Pizzuto, Dr JW Ward

31 August 2026 PhD Research Project Competition Funded PhD Project (Students Worldwide)

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Ionic Innovations: Next-Generation Drug Delivery (Ref: CG-AC-2521)

Loughborough University

Department of Chemical Engineering

Ionic liquids (ILs) and Deep Eutectic solvents (DES) have recently been used as drug delivery vectors with formulations that can allow effective transdermal action, with high potency to enhance skin permeation and low tendency to induce skin irritation (doi. Read more

Supervisor: Prof A Croft

3 August 2026 PhD Research Project Self-Funded PhD Students Only

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Next-Gen Drug Delivery: Microfluidic Encapsulation of Biologics into Smart Nanocarriers

Queen’s University Belfast

School of Pharmacy

Provide a brief description of the project. Progress in drug design has led to the development of new peptides, proteins, and drug molecules. Read more

Supervisor: Prof D Lamprou

Year round applications PhD Research Project Self-Funded PhD Students Only

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Computational nanorobotics with machine learning

University of Southampton

Faculty of Engineering and Physical Sciences

Supervisory Team. Ondrej Hovorka and Ivo Peters. The project develops intelligent nanorobots for autonomous control and adaptive behaviour in liquid nanoscale environments, exploring algorithms for simulation, control, and prediction with applications in drug delivery, diagnostics, and nano-manipulation. Read more

Supervisor: Dr O Hovorka

31 August 2026 PhD Research Project Competition Funded PhD Project (Students Worldwide)

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Pin-ing it down: Understanding the Enigmatic Role of Pin1 in Health and Disease

University of Leicester

Department of Chemistry

Second Supervisor. Dr Gareth Hall, Institute of Structural and Chemical Biology & School of Biological and Biomedical Science, University of Leicester. Read more

Supervisors: Dr RD Doveston, Prof S Macip

Year round applications PhD Research Project Self-Funded PhD Students Only

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

computational drug design PhD Projects, Programmes & Scholarships

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

PhD Studentship in Generative AI for Structure-Based De Novo Drug Design

Design and Assessment of Innovative Long-Acting Drug Delivery System

Computational and Functional Comprehensive Analysis of Natural Variants of GPCRs towards a personalized medicine approach

Hybrid ML-Physics Optimisation Framework for Pharmaceutical Reactors

How can DNA condensate despite its negative charge? Implications in genome regulation, antibiotic resistance and gene therapy

AI-Driven Structural Biology for Next-Generation Therapeutics Targeting Cancer-Associated Thrombosis and Metastasis

Case-specific prediction of BH3-mimetic responses in cancer patients using an integrated experimental and computational quantitative systems pharmacology approach

Smart supramolecular assembly for pathology-responsive and long-acting drug delivery applications

Structure-based design of allosteric modulators for G protein-coupled receptors using molecular modelling and pharmacology experiments

Design, synthesis and evaluation of novel polysialyltransferase inhibitors as anti- metastatic agents

Mitigating Synthesisability Loss in 3D Generative Models

Ionic Innovations: Next-Generation Drug Delivery (Ref: CG-AC-2521)

Next-Gen Drug Delivery: Microfluidic Encapsulation of Biologics into Smart Nanocarriers

Computational nanorobotics with machine learning

Pin-ing it down: Understanding the Enigmatic Role of Pin1 in Health and Disease

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

computational drug design PhD Projects, Programmes & Scholarships

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

PhD Studentship in Generative AI for Structure-Based De Novo Drug Design

Design and Assessment of Innovative Long-Acting Drug Delivery System

Computational and Functional Comprehensive Analysis of Natural Variants of GPCRs towards a personalized medicine approach

Hybrid ML-Physics Optimisation Framework for Pharmaceutical Reactors

How can DNA condensate despite its negative charge? Implications in genome regulation, antibiotic resistance and gene therapy

AI-Driven Structural Biology for Next-Generation Therapeutics Targeting Cancer-Associated Thrombosis and Metastasis

Case-specific prediction of BH3-mimetic responses in cancer patients using an integrated experimental and computational quantitative systems pharmacology approach

Smart supramolecular assembly for pathology-responsive and long-acting drug delivery applications

Structure-based design of allosteric modulators for G protein-coupled receptors using molecular modelling and pharmacology experiments

Design, synthesis and evaluation of novel polysialyltransferase inhibitors as anti- metastatic agents

Mitigating Synthesisability Loss in 3D Generative Models

Ionic Innovations: Next-Generation Drug Delivery (Ref: CG-AC-2521)

Next-Gen Drug Delivery: Microfluidic Encapsulation of Biologics into Smart Nanocarriers

Computational nanorobotics with machine learning

Pin-ing it down: Understanding the Enigmatic Role of Pin1 in Health and Disease

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