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Computational Chemistry (pharmaceutical science) PhD Projects, Programs & Scholarships

We have 9 Computational Chemistry (pharmaceutical science) PhD Projects, Programs & Scholarships

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We have 9 Computational Chemistry (pharmaceutical science) PhD Projects, Programs & Scholarships

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Simulation-led investigation and engineering of enzymes involved in abyssomicin antibiotic biosynthesis

Enzymes are remarkable biocatalysts that allow rapid, selective and efficient catalysis under mild conditions. Biotechnology exploits the outstanding rate-enhancing properties of these natural biocatalysts to manufacture high added-value products. Read more

Towards particle design of pharmaceutical crystals

This project is being pursued in collaboration with AstraZeneca and the successful applicant will be part of a larger research group supervised by Dr Cruz-Cabeza and Dr Ashwin Rajagopalan. Read more

(BBSRC DTP) Enzymes with an Expanded Amino Acid Alphabet

The ability to rationally design an enzyme for any desired transformation would have major impacts across the pharmaceutical and wider chemical sectors, leading to more efficient and sustainable synthetic routes to high value chemicals. Read more

Predicting drug solubility in different solvents using molecular simulation and machine learning

Predicting the solubility of complex drug-like molecules is crucial at several stages of the drug discovery and manufacture. In particular, solvent selection has been highlighted as a crucial step in process design and optimisation [1]. Read more
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