PhD Research Fellow in Computational Medicinal Chemistry for Addiction Research

About this job

About the position We invite applications for a PhD Research Fellow position in Computational Structural Biology is available at the Department of Pharmacy, Faculty of Mathematics and Natural Sciences, within the interdisciplinary research project DECODING ADDICTION – Unraveling Individual Variability to guide Prevention, part of the UiO Life Science Convergence Environment. Starting date as soon as possible. The fellowship periode for three years A fourth year may be considered, and it will involve 25 % of other career-promoting work. Other career-promoting work may consist of teaching, supervision, and/or research assistance. This is dependent upon the qualifications of the applicant and the current needs of the department. No one can be appointed for more than one PhD Research Fellowship period at the University of Oslo. Place of work is at the Department of Pharmacy in the new Life Science Building, Oslo. Job description Addiction is a growing global crisis, and understanding individual vulnerability is critical for prevention and treatment. The DECODING ADDICTION project investigates the role of the mu-opioid receptor (OPRM1/μOR) in addiction susceptibility by studying a naturally occurring mutation (R181C) discovered in the Norwegian popu-lation. This mutation abolishes opioid receptor signaling and offers unprecedented insights into how μ-opioid signaling shapes addiction risk. This PhD project (Work Package 4) aims to use advanced computational methods to elucidate the structural and functional consequences of the R181C mutation in the μ-opioid receptor. The PhD candidate will: generate high-resolution models of wild-type and R181C mutant μ-opioid receptor based on existing crystallographic data and perform molecular docking for ligand optimization perform extensive molecular dynamics (MD) simulations (AMBER, NAMD, GROMACS) in fully hydrated lipid bilayer systems to replicate physiological conditions and assess receptor conformational changes conduct structural analyses including RMSD, RMSF evaluations, and hydrogen bond assessments to identify key interactions disrupted by the R181C mutation perform free energy calculations using Free Energy Perturbation/Thermodynamic Integration (FEP/TI) to quantify binding affinity changes and receptor-Gi protein coupling alterations investigate potential disulfide bond formation between R181C and C353 of Gi protein and collaborate closely with experimental partners in WP1-3 to interpret findings in the context of human behavioral data, mouse models, and cell biology results The project offers a highly interdisciplinary research environment spanning computational chemistry, neuroscience, molecular biology, and psychology. The work will leverage GPU computing on the LUMI supercomputer, one of Europe’s fastest, to perform state-of-the-art molecular simulations. The position includes secondments to industry partners for complementary training in biophysical analyses (X-ray crystallography, NMR spectroscopy) and medicinal chemistry techniques. Primary supervisor is Assoc. Prof. Osman Gani, with co-supervisors Prof. Trond Vidar Hansen (organic chemistry, Dept. of Pharmacy) and Dr. Deo Pandey (molecular biology, Oslo University Hospital/Dept. of Microbiology). What skills are important in this role? The Faculty of Mathematics and Natural Sciences has a strategic ambition to be among Europe’s leading communities for research, education and innovation. Candidates for these fellowships will be selected in accordance with this, and expected to be in the upper segment of their class with respect to academic credentials. Required qualifications: Master’s degree in pharmacy, computational chemistry, medicinal chemistry, bioinformatics, or a closely related field. Foreign completed degree (M.Sc.-level) corresponding to a minimum of four years in the Norwegian educational system Strong background in molecular modeling, molecular dynamics simulations, or computer-aided drug design. Proven record of programming language through publicly available Github/Gitlab or similar repositories. Experience in the cell biology lab Fluent oral and written communication skills in English Desired qualifications: Experience with molecular docking tools (such as Glide, AutoDOCK) Experience with molecular dynamics simulation packages (AMBER, NAMD, GROMACS) Familiarity with high-performance computing or GPU-accelerated simulations Interest in G protein-coupled receptor (GPCR) biology, neuropharmacology, and close interdisciplinary collaboration with experimental researchers in neuroscience and molecular biology Ability to teach in a Scandinavian language Language requirement: Good oral and written communication skills in English English requirements for applicants from outside of EU/ EEA countries and exemptions from the requirements: https://www.mn.uio.no/english/research/phd/regulations/regulations.html#toc8 Grade requirements: The norm is as follows: The average grade point for courses included

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