Molecular resolution of biomolecular assembly by combining neutron scattering and coarse-grained simulation

This PhD project opportunity is part of an exciting new collaboration between the ISIS neutron and muon facility in Oxfordshire and the University of Leeds to develop new tools for understanding the multiscale structure and hydration of biomolecules. The successful student will join a cohort of ISIS Facility Studentships and benefit from a rich programme of support both at the ISIS Facility and Leeds. <br /> Background: <br /> Nanoscale biological building blocks play a vital role in biological systems and can be assembled to create novel biomaterials for use in healthcare applications such as drug delivery and tissue engineering. To date, we have employed neutron diffraction and simulation based structural refinement to study the atomistic structure of small building blocks such as aqueous sugars and amino acids, providing rich information on biomolecule hydration and biomolecule interactions. A step change is urgently needed in our approach, to move to more realistic, larger molecules and higher concentrations. This progress will allow us to understand how hydration of a biomolecule can be used to control its self-assembly, or to undertake a multiscale investigation of the hydration and self-assembly for biomaterials. To achieve this, integration of coarse-grained molecular simulation into a structural refinement data analysis workflow is needed. This advancement will have a major impact for Biosciences and biomaterials for Healthcare applications. <br />

<p>Objectives: </p> <p>In this PhD project you will develop methods that can access structural information across the length scales relevant for both hydration and macromolecular assembly. </p> <p>• You will employ an integrated approach, combining biophysical characterisation techniques at Leeds, neutron total and small angle scattering techniques and appropriate modelling techniques and the Multi-Scale Simulation Scattering Intensity Calculator (MuSSIC) software at the ISIS Facility. </p> <p>• Initially you will use standard atomistic techniques to further develop our understanding of structure and hydration of a small model peptide. </p> <p>• You will then be supported in taking a role in the MuSSIC software team, pushing the development of the code to gain a new understanding of structure and hydration across a wide-length scale range for biomolecular systems. </p> <p>Student Experience:</p> <p>You will be based at both Leeds and the ISIS Facility during your PhD. Prof Dougan will provide training/supervision of biomolecule biophysical characterisation and neutron diffraction. Dr.’s Kolli and Headen will provide training/supervision in MuSSIC, molecular simulation and refinement. At Leeds, you will be embedded within a vibrant research group, benefiting from student-led research seminars, graduate level soft matter and biophysics, an annual research retreat and exciting public engagement and outreach opportunities. At ISIS, you will have the opportunity to work closely with other scientists, technicians and engineers at a world-leading experimental facility, in addition to benefiting from training schools, and student cohort and user group meetings.</p>

<p>Formal applications for research degree study should be made online through the <a href="https://www.leeds.ac.uk/research-applying/doc/applying-research-degrees">University's website</a>. Please state clearly in the research information section that the research degree you wish to be considered for is Molecular resolution of biomolecular assembly by combining neutron scattering and coarse-grained simulation as well as Professor Lorna Dougan <a href="https://eps.leeds.ac.uk/physics/staff/4106/professor-lorna-dougan">Professor Lorna Dougan | School of Physics and Astronomy | University of Leeds</a> as your proposed supervisor.</p> <p>If English is not your first language, you must provide evidence that you meet the University's minimum English language requirements (below).</p> <p><em>As an international research-intensive university, we welcome students from all walks of life and from across the world. We foster an inclusive environment where all can flourish and prosper, and we are proud of our strong commitment to student education. Across all Faculties we are dedicated to diversifying our community and we welcome the unique contributions that individuals can bring, and particularly encourage applications from, but not limited to Black, Asian, people who belong to a minority ethnic community, people who identify as LGBT+ and people with disabilities. Applicants will always be selected based on merit and ability.</em></p>

Applicants to research degree programmes should normally have at least a first class or an upper second class British Bachelors Honours degree (or equivalent) in an appropriate discipline. The criteria for entry for some research degrees may be higher, for example, several faculties, also require a Masters degree. Applicants are advised to check with the relevant School prior to making an application. Applicants who are uncertain about the requirements for a particular research degree are advised to contact the School or Graduate School prior to making an application.

The minimum English language entry requirement for research postgraduate research study is an IELTS of 6.0 overall with at least 5.5 in each component (reading, writing, listening and speaking) or equivalent. The test must be dated within two years of the start date of the course in order to be valid. Some schools and faculties have a higher requirement.

<p paraeid="{b4d7b657-b81f-4285-b11b-f31fd8c32246}{110}" paraid="356096637">A highly competitive EPSRC Doctoral Training Partnership Studentship consisting of the award of fees with a maintenance grant (currently £19,237 for session 2024/25) for 3.5 years. </p> <p paraeid="{b4d7b657-b81f-4285-b11b-f31fd8c32246}{148}" paraid="520554330"> <br /> This opportunity is open to UK applicants only.  </p> <p paraeid="{b4d7b657-b81f-4285-b11b-f31fd8c32246}{162}" paraid="661076681"> </p> <p paraeid="{b4d7b657-b81f-4285-b11b-f31fd8c32246}{166}" paraid="1044841597"> </p>

<p>For further information please contact <span style="font-size:11pt"><span style="font-family:Calibri,sans-serif"><a href="mailto:L.Dougan@leeds.ac.uk" style="color:#0563c1; text-decoration:underline">L.Dougan@leeds.ac.uk</a></span></span><br />   </p>