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Studentship - Improved methods to encode molecular activity with shape and polarity
 
Scholarships or student grants level Graduate
 
Countries where scholarship
or student grant is applicable
United Kingdom /
 
Universities where scholarships or
student grants are applicable
University of Manchester  / 
 
 
 
Countries which are eligible
for the scholarhips or student grants
Austria / Belgium / Bulgaria / Cyprus / Czech Republic / Denmark / Estonia / Finland / France / Germany / Greece / Hungary / Ireland / Italy / Latvia / Lithuania / Luxembourg / Malta / Netherlands / Poland / Portugal / Romania / Slovakia / Slovenia / Spain / Sweden / United Kingdom /
 
Scholarships or student grants program description

Funding: Funding available for eligible UK/EU applicants.
Subject Areas

* Biochemistry
* Bioinformatics
* Biomolecular Sciences
* Biotechnology
* Pharmacology
* Structural Biology

Description

Shape and charge are key determinants in describing the relationships between small molecules of pharmaceutical relevance, and are therefore important in drug design and virtual screening processes. The same properties also describe many features of proteins and other biological macromolecules. This may simply be as a complementary surface to a drug-like molecule, but also includes the chemical underpinning of biological processes such as catalysis by enzymes. This collaborative PhD is between the groups of Andrew Grant at the Alderley Park site of AstraZeneca, and Jim Warwicker at the University of Manchester. Both groups are active in developing methods for computing solvation properties, either a tool to aid drug design or as a probe to understand biological processes.


This project will run between the two groups to improve techniques by learning from these related project areas. For example, can the tools used to cluster drug-like molecules also be used to classify macromolecules? Conversely, could a knowledge of catalysis in terms of shape and charge, aid inhibitor design? Where the therapeutic molecules are themselves macromolecules, antibodies for example, which are the most appropriate methods for modelling interactions with a receptor?


The student will benefit from interactions within a computational chemistry environment at AstraZeneca that is directed ultimately towards pharmaceutical discovery, and from a background grouping at Manchester with bioinformatics and systems biology components. This PhD is computational, with substantial resource (e.g. computer clusters, databases) at both sites.


Study fields funded by
the scholarships or student grants
Computing, Maths And It / Sciences: Pure And Applied /  
 
 
 
Official scholarships or student grants website: click here to go to the official website
 
Official scholarship or student grants email: j.warwicker@manchester.ac.uk


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College of New Rochelle, United States - New York, New Rochelle

Washington County Community College, United States- Maine, Calais

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