Molecular Dynamics

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.

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

Professor

Photo	Degree	Firstname	Lastname	Room	Phone	E-Mail
	Prof. Dr.	Martin	Zacharias	046	+49 89 289-12335	E-Mail

Office

Photo	Degree	Firstname	Lastname	Room	Phone	E-Mail
		Sonja	Ortner	047	+49 89 289-12393	E-Mail

Scientists

Photo	Degree	Firstname	Lastname	Room	Phone	E-Mail
	M.Sc.	Shu-Yu	Chen	042	+49 89 289-12564	E-Mail
	M.Sc.	Maximilian	Kienlein	044	+49 89 289-12730	E-Mail
		Brianda	Lopez Santini	045	+49 89 289-12731	E-Mail
	Dr.	Patrick	Quoika	048	+49 89 289-13766	E-Mail
	Dr.	Maria	Reif	045	+49 89 289-12731	E-Mail
	M.Sc.	Carlos Christian	Sustay Martinez	040	+49 89 289-51612	E-Mail
	M.Sc.	Luis	Vollmers	044	+49 89 289-12730	E-Mail
	M.Sc.	Paul	Westphälinger	044	+49 89 289-12730	E-Mail
	Dr.	Gabriel	Zoldak	130	–	E-Mail
	M.Sc.	Richard	Zschau	042	+49 89 289-12564	E-Mail

Students

Photo	Degree	Firstname	Lastname	Room	Phone	E-Mail
	B.Sc.	Maximilian	Block	–	–	E-Mail
		Asha	Knipp	–	–	E-Mail
	B.Sc.	Pawel	Korzeb	–	–	E-Mail
	B.Sc.	Mira Tanja	Mahlein	–	–	E-Mail
	B.Sc.	Yasmin	Saremi Nanji	–	–	E-Mail
		Luis Jakob	Walter	–	–	E-Mail
		Ziyi	Wang	–	–	E-Mail

Other Staff

Photo	Degree	Firstname	Lastname	Room	Phone	E-Mail
	Dr.	Jonathan	Coles	048	–	E-Mail
		Susmita	De	–	–	E-Mail
	M.Sc.	Christina	Frost	–	–	E-Mail
		Margrethe	Gaardlos	–	–	E-Mail
		Ameya	Harmalkar	–	–	E-Mail
	M.Sc.	Julian	Hartmann	701	–	E-Mail
	Dr.	Manuel	Hitzenberger	048	+49 89 289-13766	E-Mail
	Dr.	Korbinian	Liebl	–	+49 89 289-13697	E-Mail
		Anshuman J.	Mahapatra	–	–	E-Mail
	M.Sc.	Danial	Pour Jafar Dehkordi	059	–	E-Mail
	B.Sc.	Arrien Symon	Rauh	–	–	E-Mail
		Jose	Roldan	–	–	E-Mail
	Prof. Dr.	Philipp	Scherer	073	–	E-Mail
		Neelanjana	Sengupta	–	–	E-Mail
		Till	Siebenmorgen	059	–	E-Mail