Project title: QM/MM Investigations of the reaction and binding specificities of different proteases
A postdoctoral research position is available in the area of QM/MM calculations of enzymatic reactions at the “Theoretical Chemical Biology and Protein Modelling“ group (Prof. Dr. Iris Antes) of the Technical University of Munich. The project will be embedded in the dynamic and international research environment of the Collaborative Research Center “Dynamics and Intermediates of Molecular Transformations” (SFB749) in which various mechanistic aspects of (bio)chemical reactivity and conformational transitions are investigated both experimentally as well as computationally.
Research topic
The aim of the project will be to investigate new areas of application of QM/MM calculations in the field of computer-aided drug design. For this purpose the mechanisms of the reactions of bacterial and viral proteases with their natural substrates and with covalently bound inhibitors will be studied using QM/MM calculations. The results will be used to improve lead compounds discovered by high-throughput screening. The project will be performed in close collaboration with experimental groups within the SFB749 and the medical department of the TUM allowing for an immediate experimental evaluation and iterative improvement of predicted inhibitors.
Research environment
The “Theoretical Chemical Biology and Protein Modelling” group is a highly interdisciplinary group focusing on the development of new computational approaches, which allow for an efficient description of biomolecular recognition and dynamics, thereby integrating topics from fundamental molecular biology to practical applications like protein engineering and computer-aided drug design. The group is located at the Life Science Campus of the Technical University of Munich and is an integral part of several internationally recognized research centers in the field of protein science, including the Cluster of Excellence “Center for Integrated Protein Science Munich“ (CIPSM), thus offering an excellent, dynamic environment for innovative and collaborative research across disciplines (for more detailed information about the group please visit: http://www.wzw.tum.de/tcb).
Qualifications
We are looking for candidates with a doctorate in computational/theoretical chemistry or physics and experience with QM/MM calculations and/or biophysical simulations techniques. Experience in programming (C/C++) and methods development is highly advantageous. Successful candidates should be highly motivated, have excellent interpersonal and communication skills, be able to work independently, and favor interdisciplinary communication across disciplines and creative thinking.
Application
Applicants should send the usual application material, including a detailed letter of motivation, CV, publication list, and contact information of three potential referees, as a single PDF file to: [log in to unmask]
Contact information:
Prof. Dr. Iris Antes
Technische Universitaet Muenchen
Department of Life Sciences
Emil-Erlenmeyer-Forum 8
D-85354 Freising
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