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Date: Mon Dec 5 08:27:17 2016
Subject: 16.12.05 PhD and post-doc positions in multi-scale computational biochemistry at TU Munich, Germany

PhD and post-doc positions in multi-scale computational biochemistry at TU Munich, Germany

We are looking for highly motivated researchers at both PhD and post-doc levels in the field of computational biochemistry/biophysics. This ERC-funded project in Prof. Ville R. I. Kaila's research group at TU Munich, Dept. of Chemistry, is focused on understanding molecular mechanisms of biological energy catalysis with particular emphasis on proton-coupled electron transfer (PCET) processes, explored by multi-scale molecular simulations and protein design. Prior knowledge in quantum chemistry, QM/MM simulations, free-energy calculations, and/or classical molecular dynamics simulations is required, as well as a good basic understanding of biochemistry, and proficient English skills. Some prior programming skills would also be of advantage. Interested candidates may submit CV, a letter of motivation, and a short summary of previous work together to kaila.applications[] (Please indicate bioPCET position in the e-mail subject line). Shortlisted candidates will be contacted for interviews.

For more information about our research, please see:

Recent selected publications from the group:

  • Supekar S, Gamiz-Hernandez AP, Kaila VRI (2016) A Protonated Water Cluster as a Transient Proton Loading Site in Cytochrome /c/ Oxidase. Angew. Chemie Intl. Ed. 55:11940-11944.
  • Sharma V, Belevich G, Gamiz-Hernandez AP, Rg T, Vattulainen I, Wikstrm M, Hummer G, Kaila VRI (2015) Redox-Induced Activation of the Proton Pump in the Respiratory Complex I Proc. Natl. Acad. Sci. USA 112:11571-11576.
  • Suomivuori C-M, Winter N.O.C., Httig C, Sundholm D, Kaila VRI (2016) Exploring the Light-Capturing Properties of Photosynthetic Chlorophyll Clusters Using Large-Scale Correlated Calculations. J. Chem. Theory Comput. 12:2644-2651.
  • Ugur I, Rutherford AW, Kaila VRI (2016) Redox-coupled substrate water reorganization in the active site of Photosystem II Biochim. Biophys. Acta Bioenergetics 1857:740-748.
  • Gamiz-Hernandez AP, Neycheva IA, Send R, Sundholm D, Kaila VRI (2015) Protein-Induced Color Shift of Carotenoids in -Crustacyanin Angew. Chemie Intl. Ed. 54:11564-11566.
  • Kaila VRI , Wikstrm M, Hummer G (2014) Electrostatics, Hydration, and Proton Transfer Dynamics in the Membrane Domain of Respiratory Complex I. Proc Natl Acad Sci USA 111, 6988-6993.

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