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Two PhD positions in Computational Chemistry and Theoretical Biophysics are available in the group of JProf. Bettina Keller at Freie Universität Berlin, Germany. The function of large biomolecules is closely linked to conformational changes in these molecules. Examples are allosteric effects, protein folding, or structural change during ligand binding. We use atomistic molecular dynamics simulations as well as data from single-molecule experiments to construct detailed stochastic models of the conformational dynamics. For detailed descriptions of the two PhD projects, see below. We seek two highly motivated Ph.D. students with a keen interest in computational approaches to Chemistry and Biophysics. The applicants should hold a Master degree (or equivalent) in the natural sciences. Familiarity with biomolecules, biomolecular NMR, or single-molecule FRET, as well as experience in molecular dynamics simulations or programming are a plus, but not a requirement. If you are interested, please send an application to Bettina Keller ([log in to unmask]). The application should include - a short letter of motivation indicating which project you are interested in - curriculum vitae (including a list of publications, if applicable) - a copy of all academic certificates (including course records) - a sample of your written scientific work (e.g. Master or Bachelor thesis) - names and contact data of two referees. For more information, visit the group web page (www.bcp.fu-berlin.de/en/chemie/keller) or contact Bettina Keller ([log in to unmask]). Project 1: C-type lectin receptors (CTLR) are glycan binding protein domains which are involved in a number of important signaling cascades including immune response to pathogens and apoptosis. The C-type lectin receptors form complexes which can be targeted by multivalent ligands. In this project, the binding dynamics of a range of multivalent ligands will be investigated by atomistic molecular dynamics (MD) simulation and advanced MD analysis techniques, such as Markov state models. The results will be compared to NMR data. This project is embedded in the SFB 765 "Multivalency as a Chemical Organization and Action Principle". For more information, see www.sfb765.de/Graduiertenkolleg/stipendien/index.html (Grants Associated Area). For this project you can apply via the SFB graduate school or by directly contacting Bettina Keller. Project 2: Recently we have developed an analysis method based on hidden Markov models for single-molecule FRET data and used it to elucidate the folding mechanism of a RNA molecule. In this project, the method will be used to study the folding of proteins. In particular, we will compare the folding of an established two-state folder to the multistate dynamics of an intrinsically disordered protein. The method will be developed further, such that data from free-diffusion single-molecule FRET and from FRET experiments with different label positions can be analyzed. A strong mathematical background and programming skills are highly useful for this project. B.Keller et. al. "Complex RNA folding kinetic revealed by single-molecule FRET and hidden Markov models" JACS (appeared online). http://pubs.acs.org/doi/abs/10.1021/ja4098719 To join or leave the molecular-dynamics-news email list, go to: http://www.jiscmail.ac.uk/lists/molecular-dynamics-news.html