Project C04 – Quantum Chemical Investigations of Epigenetically Related Enzyme Mechanisms
Using newly developed, linear-scaling quantum-chemical computational methods we aim to unravel epigenetically relevant enzyme mechanisms. Up to 500-1000 atoms will be described quantum mechanically, while remaining influences on the active site by the surrounding will be described by molecular mechanics. A special focus will be on the description of the reaction mechanisms of the histone deacetylase SIRT2 and the cyclase TcdA. Further links to experimental groups within the SFB will be established based on calculating NMR shifts for a variety of biomolecular systems.
Speaker: Prof. Dr. Thomas Carell
Ludwig-Maximilians-Universität München
Institut für Chemische Epigenetik (ICEM)
Department of Chemistry
Office:
Würmtalstrasse 201
81377 Munich
Germany
Mailing address:
Butenandtstr. 5 - 13
81377 Munich
Germany
Phone: +49 (0)89 2180-77750
Fax: +49 (0)89 2180-77756
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Managing Director: Dr. Oliver Baron
Institute for Chemical Epigenetics Munich (ICEM)
Ludwig-Maximilians-Universität München
Butenandtstr. 5 - 13
81377 Munich Germany
Phone: +49 (0)89 2180-77661
Fax: +49 (0)89 2180-77651
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Secretary: Birgit Carell
Institute for Chemical Epigenetics Munich (ICEM)
Office:
Würmtalstrasse 201, Haus L - EG / Room: 007
81377 Munich
Germany
Mailing address:
Butenandtstr. 5 - 13
81377 Munich
Germany
Phone: +49 (0)89 2180-77751
Fax: +49 (0)89 2180-77881
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Prof. Dr. Hendrik Zipse (Spokesman)
LMU Munich
Department of Chemistry
Butenandtstr. 5 - 13
House F, Room 3.084
81377 Munich, Germany
Phone: +49 89 2180 77737
Fax: +49 89 2180-77738
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Dr. Stefanie Kellner (Deputy Spokeswoman)
LMU Munich
Department of Chemistry
Butenandtstr. 5 - 13
House F, Room 1.054 und House B, Room 2.073
81377 Munich Germany
Phone: +49 89 2180 77737
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Dr. Martin Sumser (Coordinator)
LMU Munich
Department of Chemistry
Butenandtstr. 5 - 13
House F, Room 4.086
81377 Munich Germany
Phone: +49 89 2180 77765
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Contact IRTG 1309 related
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