PhD Studentship - Free energy calculations in drug discovery
- Employer
- Global Academy Jobs
- Location
- United Kingdom
- Closing date
- Aug 31, 2018
View more
- Sector
- Science, Life Sciences, Cell and Molecular Biology, Physical Sciences and Engineering, Physics, Chemistry, Biochemistry
- Hours
- Full Time
- Organization Type
- University and College
- Jobseeker Type
- Academic (e.g. 'Lecturer')
Job Details
In this project the accuracy of these free energy calculations in the context of the pharmaceutical industry will be explored. We will develop a large dataset of test systems based on published data and determine the sensitivity of the calculated free energies to the choice of simulation software, parameters, free energy calculation method and system setup. Based on this sensitivity analysis, the project objectives are twofold:
To identify the primary causes of inaccuracy in protein-ligand binding free energy calculations. Through this we will be able to identify a priori on which systems these approaches will be successful. This information will be extremely valuable, allowing those cases where the methods will be useful to be identified without requiring extensive and expensive experimental validation.
To improve free energy calculation methodology to address these sensitivities. We have considerable experience of optimising free energy methodology, including in recent years the use of advanced force fields and enhanced sampling methods.
The project is funded for 3 ½ years and welcomes applicants from the UK and EU who have or expect to obtain at least an upper second class degree in Chemistry, Physics, Biochemistry or allied subjects/relevant disciplines. Funding will cover fees and a stipend at current research council rates of £ 14,777per annum.
Due to funding restrictions this position is only open to UK/EU applicants
Applications for a PhD in Chemistry should be submitted online at https://studentrecords.soton.ac.uk/BNNRPROD/bzsksrch.P_Search
Please ensure you select the academic session 2018-2019 in the academic year field and click on the Research radio button. Enter Chemistry in the search text field.
Please place ESSEX in the field for proposed supervisor/project
General enquiries should be made to Prof Jon Essex at jwe1@soton.ac.uk. Any queries on the application process should be made to pgafnes@soton.ac.uk
Applications will be considered in the order that they are received, and the position will be considered filled when a suitable candidate has been identified
Company
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