A5077743142- Photoreceptor and optogenetics research
- Protein Structure and Dynamics
- Receptor Mechanisms and Signaling
- Nicotinic Acetylcholine Receptors Study
- Neuroscience and Neuropharmacology Research
- bioluminescence and chemiluminescence research
- SARS-CoV-2 and COVID-19 Research
- Computational Drug Discovery Methods
- Neuropeptides and Animal Physiology
- Neural dynamics and brain function
- Pharmacological Receptor Mechanisms and Effects
- Mass Spectrometry Techniques and Applications
- Advanced biosensing and bioanalysis techniques
- Photosynthetic Processes and Mechanisms
- Hemoglobin structure and function
RWTH Aachen University
2023-2024
Freie Universität Berlin
2020-2023
Protein and protein-water hydrogen bonds shape the conformational energy landscape of G Protein-Coupled Receptors, GPCRs. As numerous static structures GPCRs have been solved, important question arises whether GPCR dynamics could be described in terms conserved hydrogen-bond networks, alterations these networks along reaction coordinate GPCR. To enable efficient analyses we implemented graph-based algorithms, applied algorithms to from structural biology, molecular simulations two opioid...
Kalium channelrhodopsin 1 from Hyphochytrium catenoides (HcKCR1) is a light-gated channel used for optogenetic silencing of mammalian neurons. It selects K
Corona virus spike protein S is a large homo-trimeric anchored in the membrane of virion particle. Protein binds to angiotensin-converting-enzyme 2, ACE2, host cell, followed by proteolysis protein, drastic conformational change with exposure fusion peptide virus, and entry into cell. The structural elements that govern plasticity are largely unknown. Here, we present methodology relies upon graph centrality analyses, augmented bioinformatics, identify characterize H-bond clusters...
Abstract Changes in structure and dynamics elicited by agonist ligand binding at the extracellular side of G protein coupled receptors (GPCRs) must be relayed to cytoplasmic receptors. To decipher role water‐mediated hydrogen‐bond networks this relay mechanism, we have developed graph‐based algorithms analysis methodologies applicable datasets static structures distinct GPCRs. For a reference dataset bovine rhodopsin solved same resolution, show that graph analyses capture internal...
Microbial pump rhodopsins are highly versatile light-driven membrane proteins that couple protein conformational dynamics with ion translocation across the cell membranes. Understanding how microbial use specific amino acid residues at key functional sites to control selectivity and pumping direction is of general interest for transporters, could guide site-directed mutagenesis optogenetics applications. To enable direct comparisons between different sequences we implement, first time, a unique
Dynamic hydrogen-bond networks provide proteins with structural plasticity required to translate signals such as ligand binding into a cellular response or transport ions and larger solutes across membranes and, thus, are of central interest understand protein reaction mechanisms. Here, we present C-Graphs, an efficient tool graphical user interface that analyzes data sets static structures independent numerical simulations identify conserved, vs unique, hydrogen bonds networks. For...
Microbial rhodopsins are membrane proteins that use the energy absorbed by covalently bound retinal chromophore to initiate reaction cycles resulting in ion transport or signal transduction. Thousands of distinct microbial known and, for many rhodopsins, three-dimensional structures have been solved with structural biology, including as entire sets serial femtosecond crystallography. This stage comprehensive studies large datasets static protein dissect elements provide functional...
Abstract Corona virus spike protein S is a large homo-trimeric embedded in the membrane of virion particle. Protein binds to angiotensin-converting-enzyme 2, ACE2, host cell, followed by proteolysis protein, drastic conformational change with exposure fusion peptide virus, and entry into cell. The structural elements that govern plasticity are largely unknown. Here, we present methodology relies upon graph centrality analyses, augmented bioinformatics, identify characterize H-bond clusters...