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Date: Thu Mar 9 03:14:31 2017
Subject: 17.03.09 Postdoc, Cloud-based Comp Chem and MD Development, University of Nottingham, UK
Research Fellow  Computational Chemistry Software Development
School of Pharmacy, University of Nottingham, UK

GBP 29,301 - 38,183 per annum, depending on skills & experience. 
Salary progression beyond this scale is subject to performance.

EPSRC Grant: Cloud-based methods to predict the druggability of protein-protein interactions

Applications are invited from research scientists with expertise in computational chemistry 
software development for an EPSRC-funded project, in association with UCB, that will develop 
a flexible, extensible software toolkit for drug discovery, targeted primarily at cloud computing 

Building on the EPSRC-NSF ExTASY project (, the successful candidate 
for this project will design, develop, and evaluate advanced sampling methods (including collective 
coordinate approaches and Markov state models) to identify cryptic and druggable binding pockets 
in protein-protein complexes. A key feature of the project is that the tools will be designed to take 
full advantage of the growing power and capabilities of cloud computing environments. The work 
will involve close interactions with UCB and Amazon, and ExTASY partners in the UK and USA. 
The person appointed will be based in the Centre for Biomolecular Science within the School of 
Pharmacy at Nottingham and will have the opportunity to work for periods in the partnering

Candidates should have significant experience in modern software design and development, a 
familiarity with molecular simulation techniques, a strong interest in the 
chemistry-biology-mathematics interface, and excellent team-working and communication skills.  
A track record of computational chemistry software development and experience of biomolecular
simulation techniques is desirable.  Experience in cloud computing would also be advantageous. 
Candidates should have a PhD in the field of computational science, or should have a PhD thesis 
submitted and have published work in the development and/or application of computational science 

This post will be offered on a fixed-term contract for a period of 36 months.

The School welcomes applications from all candidates and you can read more about our 
commitment to equality and diversity at
Informal enquiries may be addressed to Dr Charlie Laughton, 
email: Charles.laughton]~[  
Please note that applications sent directly to this email address will not be accepted.

For more details and/or to apply on-line please access:  
 If you are unable to apply on-line please contact the Human Resources Department, 
tel: 0115 951 5206.  Please quote ref. SCI/046117.  Closing date: Monday 3rd April 2017
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