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Dynamical Redesign of Biomolecular Networks

  • Full or part time
  • Application Deadline
    Friday, May 31, 2019
  • Funded PhD Project (European/UK Students Only)
    Funded PhD Project (European/UK Students Only)

Project Description

We will develop novel theoretical frameworks [1] using machine learning approaches to address catalytic efficiency and to establish molecular design principles to key design problems for new bio-inspired nanocatalysts. Specifically, the project will focus on identifying and characterising small molecule modulators of enzyme activity [2]. This is a highly interdisciplinary project that will enable fundamental advances in molecular simulations and will unveil the physical principles that will lead to design and control of catalysis with Nature-like efficiency.

Student profile

Applicants must hold, or expect to obtain, a first or upper second-class honours degree or UK equivalent in Chemistry or Physics from a recognised academic institution, be strongly motivated and must have experience with Linux. Additionally, knowledge of some programming language is desired. Students with Physics or Physical Chemistry background are especially encouraged to apply, computer science background is also suitable with interest in biomolecular modelling.


We expect that the successful candidate will want to contribute to our department’s teaching, for which payment will be made separately. The opportunity to contribute as a teaching assistant during the PhD programme can be an interesting and rewarding experience, which will help students develop skills which will be relevant when they look for future roles. Training and mentoring in teaching and learning in higher education will be provided, and the successful applicant will be expected to attend the Faculty’s Preparing to Teach course should they undertake additional teaching duties. Successful applicants will also have the opportunity to complete the Teaching Recognition at King’s programme (TRaK) which is the King’s route to achieve Higher Education Academy (HEA) professional recognition.

Students interested in undertaking a PhD in this project should register their interest as soon as possible. Informal enquiries should be made to Dr. Edina Rosta at

How to Apply

To apply, please visit the King’s College myApplication system:
1. Register a new account/login
2. Once logged in, select Create a new application
3. Enter ‘Chemistry Research MPhil/PhD (Full-time/Part-time)’ under Choose a programme. Please ensure you select the correct mode of study.
4. Enter Funding Code StChem.

All relevant information regarding eligibility, including academic and English language requirements, is available from the online prospectus

Please ensure that you quote the project title Dynamical Redesign of Biomolecular Networks and supervisor Dr Edina Rosta in the relevant sections of the application form. If you require support with the application process, please contact the Postgraduate Admissions Tutor for Chemistry, Dr Gerd Wagner, at: .

Funding Notes

The Studentship is funded for 4 years, on a starting bursary at the ERC funding rate, which is £24,000 per annum including London Allowance, out of which you must cover the full cost of Home/EU tuition fees. Income tax is not payable on the stipend.


1. Rosta, E. and Hummer, G. (2015) Free energies from dynamic weighted histogram analysis using unbiased Markov state model. Journal of Chemical Theory and Computation 11: 276-285.
2. Nagy, G. N., Suardíaz, R., Lopata, A., Ozohanics, O., Vékey, K., Brooks, B. R., Leveles, I., Tóth, J., Vértessy, B. G. and Rosta, E. (2016) Structural characterization of arginine fingers: Identification of an arginine finger for the pyrophosphatase dUTPases. Journal of the American Chemical Society 138: 15035-15045.

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