A5030676172- Advanced NMR Techniques and Applications
- Protein Structure and Dynamics
- Solid-state spectroscopy and crystallography
- Lipid Membrane Structure and Behavior
- RNA and protein synthesis mechanisms
- Muon and positron interactions and applications
- Epigenetics and DNA Methylation
- Viral Infections and Immunology Research
- Research on Leishmaniasis Studies
- Various Chemistry Research Topics
- Crystallography and Radiation Phenomena
- Chemical Synthesis and Analysis
- Enzyme Structure and Function
- Machine Learning in Materials Science
- Trypanosoma species research and implications
- NMR spectroscopy and applications
- Cardiomyopathy and Myosin Studies
- Innovative Microfluidic and Catalytic Techniques Innovation
- Single-cell and spatial transcriptomics
- Health, Environment, Cognitive Aging
- Computational Drug Discovery Methods
- Biochemical and Molecular Research
- DNA and Nucleic Acid Chemistry
- Advanced MRI Techniques and Applications
Pfizer (Germany)
2024
Leibniz-Forschungsinstitut für Molekulare Pharmakologie
2011-2021
Bayer (Germany)
2020
Leibniz Association
2015
Leibniz Institute for Neurobiology
2013
Using a set of six 1H-detected triple-resonance NMR experiments, we establish method for sequence-specific backbone resonance assignment magic angle spinning (MAS) nuclear magnetic (NMR) spectra 5–30 kDa proteins. The approach relies on perdeuteration, amide 2H/1H exchange, high fields, and high-spinning frequencies (ωr/2π ≥ 60 kHz) yields high-quality data, enabling the use automated analysis. is validated with five examples proteins in different condensed states, including two...
Abstract β-barrel proteins mediate nutrient uptake in bacteria and serve vital functions cell signaling adhesion. For the 14-strand outer membrane protein G of Escherichia coli , opening closing is pH-dependent. Different roles extracellular loops this process were proposed, X-ray solution NMR studies divergent. Here, we report structure investigated bilayers E. lipid extracts by magic-angle-spinning NMR. In total, 1847 inter-residue 1 H– H 13 C– C distance restraints, 256 torsion angles,...
Abstract Summary We created bigwig-loader, a data-loader for epigenetic profiles from BigWig files that decompresses and processes information multiple intervals in parallel. This is an access pattern needed to create training batches typical machine learning models on epigenetics data. Using new codec, the decompression can be done graphical processing unit (GPU) making it fast enough during training, mitigating need saving preprocessed examples disk. Availability implementation The...
Abstract Summary Optimizing small molecules in a drug discovery project is notoriously difficult task as multiple molecular properties have to be considered and balanced at the same time. In this work, we present our novel interactive silico compound optimization platform termed grünifai support ideation of next generation compounds under constraints multiparameter objective. integrates adjustable models, continuous representation chemical space, scalable particle swarm algorithm possibility...
Experimental autoimmune myocarditis (EAM) in rodents is an accepted model of and dilated cardiomyopathy (DCM). Altered metabolism thought to play important role the pathogenesis DCM heart failure (HF). Study may provide new diagnostic information insights into mechanisms HF. Proton MRS (1H-MRS) has not yet been used study changes occurring subsequent We aimed explore creatine using this compare them with findings healthy animals. Myocardial function male young Lewis rats EAM was quantified...