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Molecular Dynamics

Prof. Martin Zacharias

Research Field

The function of proteins and nucleic acids in living systems is strongly coupled to the molecular motion and dynamics of these biomolecules. Our group uses computer simulation methods to study the structure, function and dynamics of biomolecules. Our goal is to better understand structure formation processes and to elucidate the mechanism of ligand-receptor association in atomic detail. As the main computational technique we employ Molecular Dynamics simulations based on a classical force field to follow molecular motions including the surrounding solvent and ions. This allows us to extract thermodynamic and kinetic properties of the biomolecular system using methods of statistical mechanics. We also develop computational docking approaches to predict how proteins interact with other proteins or RNA and DNA molecules or how small drug-like compounds bind to biomolecular targets.

Address/Contact

Ernst-Otto-Fischer-Straße 8/I
85748 Garching b. München
+49 89 289 12393
Fax: +49 89 289 12444

Members of the Research Group

Professor

Office

Scientists

Students

Other Staff

Teaching

Course with Participations of Group Members

Titel und Modulzuordnung
ArtSWSDozent(en)Termine
Continuum Mechanics
eLearning-Kurs
Zuordnung zu Modulen:
VO 4 Reif, M. Zacharias, M. einzelne oder verschobene Termine
Quantum Mechanics of Molecular Systems
eLearning-Kurs LV-Unterlagen
Zuordnung zu Modulen:
VO 2 Scherer, P. einzelne oder verschobene Termine
Seminar zu aktuellen Themen der molekularen Biophysik
Zuordnung zu Modulen:
HS 2 Zacharias, M. einzelne oder verschobene Termine
Exercise to Continuum Mechanics
eLearning-Kurs
Zuordnung zu Modulen:
UE 2 Burger, L. Kienlein, M. Mirzapour, F. Quoika, P. Sustay Martinez, C. … (insgesamt 6)
Leitung/Koordination: Zacharias, M.
Termine in Gruppen
Exercise to Quantum Mechanics of Molecular Systems
Zuordnung zu Modulen:
UE 2 Scherer, P. Termine in Gruppen
FOPRA Experiment 74: Molecular Dynamics (AEP, BIO)
aktuelle Informationen
Zuordnung zu Modulen:
PR 1 Chen, S.
Leitung/Koordination: Zacharias, M.
Praktikum Biophysik für Studenten der Biochemie
eLearning-Kurs LV-Unterlagen
Zuordnung zu Modulen:
PR 4 Bausch, A. Dietz, H. Lieleg, O. Rief, M. Simmel, F. … (insgesamt 7) einzelne oder verschobene Termine
Repetitorium zu Seminar zu aktuellen Themen der molekularen Biophysik
Zuordnung zu Modulen:
RE 2
Leitung/Koordination: Zacharias, M.

Current and Finished Theses in the Group

Implementation of Structure Based Models to Comprehend Protein Assembly Processes
Abschlussarbeit im Masterstudiengang Physik (Biophysik)
Themensteller(in): Martin Zacharias
Molekulare Simulation von flexiblen Segmenten in einer Amyloidstruktur
Abschlussarbeit im Bachelorstudiengang Physik
Themensteller(in): Martin Zacharias
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