Technische Universität München
Lehrstuhl für Theoretische Biophysik - Molekulardynamik (Prof. Zacharias)
Ernst-Otto-Fischer-Str. 8
85748 Garching b. München
Molecular Dynamics Simulation of Biomolecules
My research group uses computer simulation methods to study the structure, function and dynamics of biomolecules and large biomolecular complexes. As the main computational technique we employ Molecular Dynamics simulations based on a force field to follow molecular motions including the surrounding solvent and ions. It allows us to better understand the molecular details of structure formation processes of proteins and nucleic acids and to extract thermodynamics properties. We apply these methods to study enzymes, amyloid structures and protein-protein interactions.
Our main research areas are:
Physical Chemistry Chemical Physics
Abstract: The extracellular environment but also cellular metabolism can generate oxidative stress that can chemically modify and damage protein molecules. The sulfur containing amino acid cysteine (CYS) is…
Computational and Structural Biotechnology Journal
Abstract: Cathepsins are papain-like proteolytic enzymes localized in lysosomes and the extracellular matrix, where they participate in diverse physiological and pathological processes. They are synthesized as…
Chemical Science
Abstract: DNA mimic foldamers are helically folded aromatic oligoamides bearing negatively charged side chains that mimic the shape and charge distribution of double-stranded B-DNA. They have been shown to bind…
Journal of Molecular Biology
Abstract: Cellular metabolic systems but also the extracellular environment can generate reactive oxygen species that lead to oxidation of methionine (MET) and interfere with protein folding and protein–protein…
Biophysical Journal
Abstract: Numerous proteins are associated with cellular membranes and often contain single or multiple membrane-spanning helices. These helices can mediate membrane protein interactions to form functional…
Proteins: Structure, Function and Bioinformatics
Abstract: The control and modulation of protein–protein interactions (PPIs) is of central importance for the majority of biological processes and most biomedical applications. Stabilization of PPIs, besides…
Bioinformatics
Abstract: Motivation The rational design of chemical compounds that bind to a desired protein target molecule is a major goal of drug discovery. Most current molecular docking but also fragment-based buildup or…
Virchows Archiv
Abstract: Small cell lung carcinoma (SCLC) is classically defined by biallelic inactivation of RB1 and TP53. However, a small subset of tumors retains Rb expression and exhibits distinct molecular features.…
Langmuir
Abstract: Interactions between RNA and lipids are fundamental to biological processes and are increasingly exploited for RNA delivery by lipid nanoparticles. However, RNA-lipid interactions remain challenging…
Chemical Science
Abstract: Treatment of Mycobacterium tuberculosis infections is a challenging task due to long treatment regiments and a growing number of resistant clinical isolates. To identify new antibiotic hits, we…
| Titel | Termine | Dauer | Art | Vortragende/r (Mitwirkende/r) |
|---|---|---|---|---|
| Praktikum Biophysik für Studenten der Biochemie |
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4 | PR | |
| Repetitorium zu Seminar zu aktuellen Themen der molekularen Biophysik |
|
2 | RE |
M. Zacharias [L]
|
| Seminar zu aktuellen Themen der molekularen Biophysik |
|
2 | PS |