Computational Chemistry (biological) PhD Projects, Programmes & Scholarships

Expanding the capabilities of the Molecular Simulation Design Framework (MoSDeF)

Heriot-Watt University School of Engineering & Physical Sciences

The Molecular Simulation Design Framework (MoSDeF, mosdef.org) is an open-source, extensible Python-based software package designed to facilitate the hierarchical… Read more

Supervisors: Prof PT Cummings, Prof C McGabe

Year round applications PhD Research Project Funded PhD Project (Students Worldwide)

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Intracellular Capillarity of Biomolecular Condensates

University of Edinburgh School of Engineering

The emerging role of biomolecular condensates formed through a liquid-liquid phase separation process inside biological cells is driving a paradigm change in our understanding of cellular organisation. Read more

Supervisors: Prof HK Kusumaatmaja, Dr R Ledesma Aguilar

16 January 2025 PhD Research Project Funded PhD Project (Students Worldwide)

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Machine Learning and Molecular Modelling in Mass Spectrometry

University of Leeds Faculty of Biological Sciences

This PhD project will harness the power of computational modelling and machine learning (A.I.) to analyse data obtained by mass spectrometry experiments and predict structural characteristics of biomolecules and their interactions. Read more

Supervisors: Prof F. Sobott, Dr A Kalli, Dr H Wang

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

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(MRC DTP CASE) Prediction of substrate binding geometry and strength in promiscuous enzymes: computational chemistry applicable to the design of pharmaceuticals and agrochemicals

The University of Manchester Faculty of Biology, Medicine and Health

We are often taught about the power of enzymes to select particular substrates from the biological milieu and of their ability to perform highly selective reactions on those substrates. Read more

Supervisors: Dr A Leach, Dr S De Visser, Dr C Trujillo

13 May 2024 PhD Research Project Competition Funded PhD Project (UK Students Only)

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Developing novel Electron Paramagnetic Resonance Methods for Pulsed Dipolar Spectroscopy and Quantum Information Processing

The University of Manchester Department of Chemistry

In the last decade significant improvements in the hardware available for Electron Paramagnetic Resonance measurements. Read more

Supervisors: Dr A Bowen, Prof E McInnes, Prof D Collison, Prof R Winpenny

Year round applications PhD Research Project Competition Funded PhD Project (Students Worldwide)

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New methods for modelling radionuclide binding proteins

The University of Manchester Department of Chemistry

The management of radioactively contaminated land and water is a multi-billion pound, 100+ year grand challenge that requires innovation to minimise costs. Read more

Supervisors: Prof S Hay, Dr L Natrajan

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

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Targeting the mechanism of small GTPase splice variant RAC1B using ligand design

The University of Manchester Faculty of Biology, Medicine and Health

RAC1 is a small GTPase protein that functions as a key signalling node downstream of various microenvironmental signalling pathways. Read more

Supervisors: Dr RB Bryce, Dr S Butterworth, Dr T Jowitt, Dr A Ucar

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

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In Silico targeting of unstructured extracellular histones: En route to a new horizon of drug discovery to target disordered proteins) – second call for applications

Maastricht University Cardiovascular Research Institute Maastricht (CARIM)

Applications can only be submitted via our website. The specific position for Doctoral Candidate 6 (DC6) in the consortium, which is part of Work Package 2 (WP2), aims. Read more

Supervisor: Dr G Nicolaes

30 April 2024 PhD Research Project Competition Funded PhD Project (Students Worldwide)

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Molecular networks rethought

Max Planck Institute for Chemical Ecology International Max Planck Research School

Background. Mass spectrometry (MS) is the analytical platforms of choice for high-throughput screening of small molecules. Molecular networks have found widespread application in untargeted metabolomics, natural products research and related areas. Read more

Supervisors: Prof S Böcker, Prof G. Pohnert

18 April 2024 PhD Research Project Competition Funded PhD Project (Students Worldwide)

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EPSRC Centre for Doctoral Training in Aerosol Science

University of Bristol EPSRC Centre for Doctoral Training in Aerosol Science

Fully-funded 4-year PhD studentships are available as part of the EPSRC Centre for Doctoral training in Aerosol Science. Read more

Funded PhD Programme (European/UK Students Only) EPSRC Centre for Doctoral Training

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Autonomous Small Scale Stirring Devices to Enable Rapid Medical Diagnosis

University of Sheffield Department of Chemical & Biological Engineering

The reliance of modern healthcare on rapid medical diagnostic devices is very clear. for example lateral flow tests are a key part of the response to Covid-19. Read more

Supervisor: Dr S Ebbens

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

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MScR - Computational modelling to investigate the role of membrane microdomains in cell signalling

University of Bristol School of Physiology, Pharmacology & Neuroscience

The dynamic organization of the plasma membrane into specialized cholesterol-rich microdomains plays a crucial role in cellular signalling and the regulation of various biological processes. Read more

Supervisor: Dr RC Corey

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

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Computational modelling of the human blood-brain barrier to tackle multidrug resistance and neurodegenerative disorders (molecular dynamics/deep generative learning/AI)

University of Portsmouth School of Pharmacy and Biomedical Sciences

By 2050 the number of people living with neurodegenerative disorders are set to double. Alzheimer’s disease in particular is set to become a public health emergency. Read more

Supervisor: Prof C Jorgensen

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

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CDT-QTE: Magnetic Resonance Spectroscopy & Imaging at the Quantum Mechanical Performance Limit

University of Southampton Faculty of Engineering and Physical Sciences

Supervisory Team: Prof Ilya Kuprov, Dr Marina Carravetta. Project description: This project is part of the EPSRC Centre for Doctoral Training in Quantum Technology Engineering at the University of Southampton. Read more

Supervisor: Dr I Kuprov

31 August 2024 PhD Research Project Competition Funded PhD Project (Students Worldwide)

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CDT-QTE: Quantum control of magnetic processes

University of Southampton Faculty of Engineering and Physical Sciences

Supervisory Team: Prof Ilya Kuprov, Dr Marina Carravetta. Project description: This project is part of the EPSRC Centre for Doctoral Training in Quantum Technology Engineering at the University of Southampton. Read more

Supervisor: Dr I Kuprov

31 August 2024 PhD Research Project Competition Funded PhD Project (Students Worldwide)

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We have 19 Computational Chemistry (biological) PhD Projects, Programmes & Scholarships

Computational Chemistry (biological) PhD Projects, Programmes & Scholarships

We have 19 Computational Chemistry (biological) PhD Projects, Programmes & Scholarships

Expanding the capabilities of the Molecular Simulation Design Framework (MoSDeF)

Intracellular Capillarity of Biomolecular Condensates

Machine Learning and Molecular Modelling in Mass Spectrometry

(MRC DTP CASE) Prediction of substrate binding geometry and strength in promiscuous enzymes: computational chemistry applicable to the design of pharmaceuticals and agrochemicals

Developing novel Electron Paramagnetic Resonance Methods for Pulsed Dipolar Spectroscopy and Quantum Information Processing

New methods for modelling radionuclide binding proteins

Targeting the mechanism of small GTPase splice variant RAC1B using ligand design

In Silico targeting of unstructured extracellular histones: En route to a new horizon of drug discovery to target disordered proteins) – second call for applications

Molecular networks rethought

EPSRC Centre for Doctoral Training in Aerosol Science

Autonomous Small Scale Stirring Devices to Enable Rapid Medical Diagnosis

MScR - Computational modelling to investigate the role of membrane microdomains in cell signalling

Computational modelling of the human blood-brain barrier to tackle multidrug resistance and neurodegenerative disorders (molecular dynamics/deep generative learning/AI)

CDT-QTE: Magnetic Resonance Spectroscopy & Imaging at the Quantum Mechanical Performance Limit

CDT-QTE: Quantum control of magnetic processes

We have 19 Computational Chemistry (biological) PhD Projects, Programmes & Scholarships

Computational Chemistry (biological) PhD Projects, Programmes & Scholarships

We have 19 Computational Chemistry (biological) PhD Projects, Programmes & Scholarships

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