[Neutron] Thesis Project

[KNELLER Gerald]

PhD studentship

Spectroscopic picture of enzyme dynamics - combining experiment, computer simulation and theoretical modelling

Prof. Gerald Kneller
Centre de Biophysique Moléculaire CNRS, Orléans (France) Synchrotron SOLEIL, St Aubin (France)

Applications are invited for a three-year PhD studentship on a combined computer simulation, experimental and modelling study of human acetylcholinesterase. HAChE is an enzyme that catalyzes the decomposition of the neurotransmitter acetylcholine into choline and acetate and stops in this way the stimulus for muscular contraction. The idea of the project is to capture the essential features of the dynamics of this enzyme, as well as their changes due to the binding of an inhibitor, by minimal models for protein dynamics, which have been developed in the group over the last years. For this purpose experimental information will be gathered from quasielastic neutron scattering experiments, which gives an averaged view of single atom motions in a protein, and THz spectroscopy, which probes its collective dynamics. Molecular dynamics simulations will serve to establishing a link between experimental data and theoretical models. The experiments will be conducted in close collaboration with Prof. Judith Peters at the Institut Laue- Langevin in Grenoble and with the scientists of the AILES beam line at the Synchrotron SOLEIL in St Aubin, 25 km south of Paris. The candidate will benefit from excellent working conditions, in particular from longstanding experience in the group with computer-aided modelling of experimental data on protein structure and dynamics and from top class experimental environments. More information can be found on the website http//:dirac.cnrs-orleans.fr<http://dirac.cnrs-orleans.fr>.

Interested candidats should have excelled academically and must hold a recent master degree in physics, physical chemistry, or biochemistry with good knowledge of spectroscopic techniques. They should send a short CV and, if available, one or two publications to: gerald.kneller at cnrs.fr<mailto:gerald.kneller at cnrs.fr>.



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Prof. Gerald Kneller
Centre de Biophysique Moléculaire, CNRS
Rue Charles Sadron<x-apple-data-detectors://10/1>
45071 Orléans CEDEX 2<x-apple-data-detectors://10/1>
France<x-apple-data-detectors://10/1>

Tel:         +33 (0)2 38 25 78 42<tel:+33%202%2038%2025%2078%2042>
Mobile:  +33 (0)6 11 19 54 31<tel:+33%206%2011%2019%2054%2031>
Fax.     :  +33 (0)2 38 25 55 83<tel:+33%202%2038%2025%2055%2083>.
E-Mail :  gerald.kneller at cnrs-orleans.fr<mailto:gerald.kneller at cnrs-orleans.fr>
URL.    :  http://dirac.cnrs-orleans.fr<http://dirac.cnrs-orleans.fr/>

Synchrotron SOLEIL - Division Expériences
Saint Aubin - BP 48<x-apple-data-detectors://13>
91192 Gif-sur-Yvette CEDEX<x-apple-data-detectors://13>
France<x-apple-data-detectors://13>

Tel   : +33 (0)1 69 35 97 14<tel:+33%201%2069%2035%2097%2014>
Fax  : +33 (0)1 69 35 94 56<tel:+33%201%2069%2035%2094%2056>

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