Post-doctoral fellow in protein crystallography/computational chemistry Full-time

Post-doctoral Fellow In Protein Crystallography/Computational Chemistry

Lund University was founded in 1666 and is repeatedly ranked among the world's top universities. The University has around 47,000 students and more than 8,800 staff based in Lund, Helsingborg, and Malmö. We are united in our efforts to understand, explain, and improve our world and the human condition.

Lund University welcomes applicants with diverse backgrounds and experiences. We regard gender equality and diversity as a strength and an asset.

Subject Description

This post-doctoral position is part of the EU cofund research project AMBER, Advanced Multiscale Biological imaging using European Research infrastructures, will address scientific and sectoral gaps in biological imaging ranging from molecular, through cellular, to tissue, organ, and organism levels of organization, and is coordinated by LINXS Institute of advanced Neutron and X-ray Science.

AMBER is funded by the EU Marie Skłodowska-Curie (MSCA) COFUND scheme.

Around 15 postdocs will be recruited in the fifth call 2026, with each fellowship lasting 36 months.

AMBER has six core partners: Lund University/MAX IV, Sweden, the European Spallation Source (ESS), Sweden, the European Molecular Biology Laboratory (EMBL), Institut Laue-Langevin (ILL), France, the International Institute of Molecular Mechanisms and Machines, (IMOL), Poland, and the Leicester Institute of Structural and Chemical Biology, United Kingdom.

Your work may include clinical and biomedical projects. It may also include technique development work aimed at combining imaging techniques and data analysis to provide a more integrated picture of life processes in the context of health and disease. To be a postdoc fellow at the AMBER programme you will get unprecedented medical, biological, and methodological capabilities, with a profound potential impact for Europe's next generation of research and researchers. When you have completed the AMBER programme you will be extraordinarily well equipped to further your career in academia, at infrastructures, in the health and MedTech sectors, and beyond.

Work Duties

The main duties involved in a post-doctoral position is to conduct research. Teaching may also be included, but up to no more than 20% of working hours. The position shall include the opportunity for three weeks of training in higher education teaching and learning.

Research project description – Elucidating the mechanism of triose phosphate isomerase

Dr. Esko Oksanen is an expert researcher at the Division of Computational Chemistry and an Instrument Scientist at the European Spallation Source. His research focuses on combining experimental structural information with computational techniques to understand enzyme mechanisms. Triose phosphate isomerase is a key glycolytic enzyme that catalyses a very fast keto-enol isomerisation between glyceraldehyde-3-phosphate and dihydroxyacetone phosphate. Hydrogen atoms play a key role in this remarkably fast process, but they are not detectable by X-ray crystallography. Therefore we have turned to neutron crystallography to locate the hydrogens (Kelpsas et al. 2021, https://doi.org/10.1107/S2052252521004619) in inhibitor complexes. While knowledge of the protonation states is a prerequisite for mechanistic understanding, computational chemistry methods are crucial for modelling the reaction trajectory. We have previously used quantum mechanics-molecular mechanics (QM/MM) modelling to study the chemical step of the reaction, but our unpublished data from variants suggest modifications to the model we proposed in Kelpsas et al. 2021 that QM/MM is insufficient to describe. Our variant structures also point out a way to determine structures with the substrate dihydroxyacetone phosphate in a way that has previously not been feasible.

In this project – that builds on our existing neutron data – the aim is to determine an X-ray and neutron structure of triose phosphate isomerase in complex with the substrate by modifying our existing crystallisation protocols for growing large crystals. The follow-up aim is then to model the reaction trajectory using a combination of QM/MM and empirical valence bond (EVB) methods. The latter allows larger motions than QM/MM to be described while still accurately modelling the chemistry. For the EVB work we will collaborate with the group of Prof Lynn Kamerlin at Georgia Tech (visiting professor at Lund University).

Qualification Requirements

Appointment to a post-doctoral position requires that the applicant has a PhD, or an international degree deemed equivalent to a PhD, within the subject of the position, completed no more than three years before the date of employment decision. Under special circumstances, the doctoral degree can have been completed earlier, but no more than eight years as required by the project Grant Agreement signed with the European Commission.

Minimum requirements for this position are:

• at least one original publication in a peer-reviewed journal,
• a background in the relevant methods; either crystallography or computational chemistry of biomolecules
• a complete application package submitted through the AMBER portal (including CV and detailed research plan), and finally,
• strict compliance with the MSCA mobility rule that the researcher must not have resided or carried out his/her main activity (work, studies, etc.) in the host organisation's country for more than twelve months in the three years immediately prior to the call deadline.

Additional requirements:

• Very good oral and written proficiency in English.
• Experience in structural enzymology.

Each project will have additional specific requirements that candidates have to fulfill, be sure to check what these are before you apply.

Assessment Criteria And Other Qualifications

This is a career development position primarily focused on research. The position is intended as an initial step in a career, and the assessment of the applicants will primarily be based on their research qualifications and potential as researchers.

Particular emphasis will be placed on research skills within the subject.

For appointments to a post-doctoral position, the following shall form the assessment criteria:

• A good ability to develop and conduct high quality research.
• Teaching skills.

Consideration will also be given to good collaborative skills, drive and independence, and how the applicant's experience and skills complement and strengthen ongoing research within the department, and how they stand to contribute to its future development.

Terms Of Employment

This is a full-time, fixed-term employment of a maximum of three years. The period of employment is determined in accordance with the agreement “Avtal om tidsbegränsad anställning som postdoktor” (“Agreement on fixed-term employment as a post-doctoral fellow”) between Lund University, SACO-S and OFR/S, dated 1st February 2022.

Instructions On How To Apply

For more information and documents/templates/europass link, please visit https://www.ambercofund.eu/for-applicants.

Incomplete applications will not be considered. Please make sure that you upload all the required documents specified below i-ix.

If you are interested in applying for more than one position (maximum 3) you must be prepared to make a full application for each individual position.

Applications shall be written in English and all documents shall be in pdf format.

i) A Curriculum Vitae (europass format). Your CV shall be exported to a PDF file that you use in your application.

ii) A detailed research plan for the project described above including any foreseen secondments (candidates can suggest more than the mandated one, they can also suggest their own secondments), schools and conferences as well as a templated budget plan. The research plan should be as concise as possible, 3 pages, including one-third page of summary/abstract.

Additional texts to include in the PDF are:

iii) Letter of Commitment from any additional secondment partners the candidate wishes to bring onboard.

iv) Evidence of English proficiency (minimum CEFR B22, also checked at interview).

v) A draft Individual Career Development Plan (ICDP).

vi) Two reference letters.

vii) Any additional documents to support the application, for example PhD certificate/diploma, PhD upcoming defense date

viii) Ethical questionnaire (HE ethics checklist + research ethics commitment)

In addition, the application will require:

ix) Any candidate can apply for maximum of 3 positions. You must apply