A PhD studentship is available in the group of Professor Julien Michel 
(School of Chemistry, The University of Edinburgh; 
https://www.julienmichel.net/ 
The studentship is fully funded for 42 months by the University of 
Edinburgh and covers tuition fees and an annual stipend (starting at 
17,668 per annum) for a candidate satisfying EPSRC residency criteria. 
https://www.ukri.org/councils/esrc/career-and-skills-development/funding-for-postgraduate-training/eligibility-for-studentship-funding/#contents-list 


Project Summary
This project will focus on developing computational methodologies grounded
 in molecular simulation and machine learning for predicting how the binding
 of a ligand to the surface of a protein will modulate its biological 
function. Such capability may facilitate the rational design of allosteric 
modulators of protein function which of enormous importance in drug 
discovery. This work builds on Markov State Modelling methodologies and 
alchemical free energy calculation methodologies that the Michel research 
group has recently developed to simulate large scale conformational changes
 in protein structures (Chem. Sci. , 11, 2670-2680, 2020) and to estimate 
protein-ligand binding affinities (Chem. Sci. , 13, 5220-5229, 2022). 
Throughout the project there will be opportunities to interact with 
pharmaceutical companies interested in such methodologies. 
Upon completion of the studentship, the successful applicant will have 
gained strong technical expertise in molecular modelling and learned to 
work closely with the pharmaceutical industry sector. This will prepare him
 or her well for a future career in academia or industry. 
Applicants with an excellent academic record in a chemistry/biochemistry/
physics are encouraged to apply. The ideal candidate will have: interest in
 computer programming (Python) and evidence of strong programming abilities,
 strong knowledge in physical chemistry and/or biophysical chemistry; 
relevant research experience; excellent written and oral communication 
skills; enthusiasm for rational drug design, computational chemistry and 
scientific computing. 
Applications will be considered until an excellent candidate has been 
identified.  Candidates should normally be UK resident, with or about to 
obtain a 2.i or 1st class degree in a relevant discipline. International 
candidates may be considered, provided they demonstrate an outstanding 
academic record (within top 10% of your class) and strong written/spoken 
English language skills. 

In the first instance, the initial application (including cover letter and
 CV) should be directed to: 
Professor Julien Michel School of Chemistry, University of Edinburgh, David
 Brewster Road, Edinburgh EH9 3FJ, UK. 
Email: julien.michel*_*ed.ac.uk 

Informal enquiries are encouraged. The position will remain open until
 filled. It is anticipated that interviews will be arranged in late 
January 2023 and applicants are encouraged to make contact as soon as 
possible.

IMPORTANT
Before Submitting your cover letter and CV, please complete the online 
School of Chemistry Equality, Diversity & Inclusion Form 2023.  The form 
will automatically generate a unique Receipt Number that you MUST 
include in your cover letter. 

Equality and Diversity 
The School of Chemistry holds a Silver Athena SWAN award in recognition of
 our commitment to advance gender equality in higher education. The 
University is a member of the Race Equality Charter and is a Stonewall 
Scotland Diversity Champion, actively promoting LGBT equality. The 
University has a range of initiatives to support a family friendly working
 environment. See our University Initiatives website for further 
information. 
University Initiatives website: https://www.ed.ac.uk/equality-diversity/help-advice/family-friendly