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Computational Chemistry PhD Projects, Programs & Scholarships in Manchester

We have 21 Computational Chemistry PhD Projects, Programs & Scholarships in Manchester

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  (MRC DTP) Design of allosteric small molecule inhibitors of fibrosis using advanced molecular simulation techniques
  Dr R A Bryce, Dr K Piper Hanley, Dr R Whitehead
Application Deadline: 15 November 2019

Funding Type

PhD Type

Integrins are a family of protein receptors that play a major role in cell survival, growth and migration. Their function is to transmit signals across the cell membrane by undergoing an elegant large scale structural rearrangement.
  (MRC DTP) Development of antifungal agents that target essential protein kinases in A. fumigatus
  Dr M Bromley, Dr L Tabernero
Application Deadline: 15 November 2019

Funding Type

PhD Type

A. fumigatus is the primary etiological agent of invasive aspergillosis, a disease that primarily affects individuals who are immunocompromised, and causes 200k life threatening infections annually.
  Synthesis and computation to understand and redesign self-assembling carbohydrate materials
  Prof R Field, Dr A Almond
Application Deadline: 30 October 2019

Funding Type

PhD Type

Polysaccharides are widespread in nature and fulfil many important biological functions; they are important foodstuffs and they are exploited as bulk commodities across industry sectors due to their physical properties.
  Modelling photosynthetic water oxidation
  Dr P O'Malley
Applications accepted all year round

Funding Type

PhD Type

This project aims use molecular modelling methods and spectroscopy to understand how the protein environment of electron transfer cofactors in photosysnthesis and in particular how the water oxidising complex, facilitates electron transfer and also helps stabilise these radical species to maintain a charge separated state.
  Exploring the influence of proteogenomics in patients receiving biologic drugs for treatment of psoriatic arthritis
  Prof A Barton, Dr James Bluett, Dr N Nair
Applications accepted all year round

Funding Type

PhD Type

Background. Psoriatic arthritis (PsA) is an inflammatory arthritis, associated with the chronic skin condition psoriasis, which causes joint inflammation.
  Computer-aided molecular design: improved ligand docking using electronic structure and molecular dynamics simulations
  Dr R A Bryce, Dr N Burton
Applications accepted all year round

Funding Type

PhD Type

In structure-based drug design, computational modelling techniques are frequently used to predict the orientation and affinity with which a ligand binds to its protein receptor.
  Exploring the influence of treatment on CD4+ T-cell sub-populations in patients receiving biologic drugs for their inflammatory arthritis
  Prof A Barton, Dr D Plant, Dr S Viatte
Applications accepted all year round

Funding Type

PhD Type

Background. Tumour necrosis factor inhibitor (TNFi) therapy is ineffective for approximately 20% of rheumatoid arthritis (RA) patients and there is currently no way to predict which patients will not benefit.
  Exploiting druggability host spots in protein phosphatase targets
  Dr L Tabernero, Prof D Procter, Dr S Butterworth
Applications accepted all year round

Funding Type

PhD Type

In the past years the use of virtual screening or computer-based screening of compound libraries against selected targets has expanded exponentially the boundaries of drug discovery.
  Formal Semantics of the Perfect Language
  Dr R Banach
Applications accepted all year round

Funding Type

PhD Type

Perfect Developer, from Escher Technologies, is a language system that combines specification constructs, programming constructs, code generation and verification.
  Odd metal clusterings and peculiar phases in nuclear extraction processes
  Prof A Masters
Applications accepted all year round

Funding Type

PhD Type

At the end of a nuclear reaction, many countries seek to recover unspent uranium and plutonium from the spent fuel. The most common way to do this is to dissolve the spent fuel in nitric acid, add some oil and also a special ligand.
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