A5016033903- RNA and protein synthesis mechanisms
- RNA Research and Splicing
- RNA modifications and cancer
- Electron Spin Resonance Studies
- Lanthanide and Transition Metal Complexes
- Magnetism in coordination complexes
- DNA and Nucleic Acid Chemistry
- Metabolomics and Mass Spectrometry Studies
- Machine Learning in Bioinformatics
- Morphological variations and asymmetry
- Advanced NMR Techniques and Applications
- Molecular Biology Techniques and Applications
- Bioinformatics and Genomic Networks
- Spectroscopy and Quantum Chemical Studies
- Enzyme Structure and Function
- Monoclonal and Polyclonal Antibodies Research
University of Göttingen
2021-2023
Max Planck Institute for Multidisciplinary Sciences
2023
University College London
2023
Mathematical Institute of the Slovak Academy of Sciences
2023
Numerical Method (China)
2023
Tissue Dynamics (Israel)
2023
Applied Mathematics (United States)
2023
We address the problem of predicting high detail RNA structure geometry from information available in low resolution experimental maps electron density. Here refers to ≥2.5Å where location phosphate groups and glyocosidic bonds can be determined density but all other backbone atom positions cannot. In contrast, determines atomic positions. To this end, we firstly create a gold standard data base for four manually corrected suites, each reflecting one out sugar pucker-pair configurations....
ENDOR spectroscopy is a fundamental method to detect nuclear spins in the vicinity of paramagnetic centers and their mutual hyperfine interaction. Recently, site-selective introduction 19F as labels has been proposed tool for ENDOR-based distance determination biomolecules, complementing pulsed dipolar range angstrom nanometer. Nevertheless, one main challenge still consists its spectral analysis, which aggravated by large parameter space broad resonances from interactions. Additionally, at...
Abstract Three-dimensional RNA structures frequently contain atomic clashes. Usually, corrections approximate the biophysical chemistry, which is computationally intensive and often does not correct all We propose fast, data-driven reconstructions from clash-free benchmark data with two-scale shape analysis: microscopic (suites) dihedral backbone angles, mesoscopic sugar ring centre landmarks. Our analysis relates concentrated scale neighbourhoods to clusters, correcting...
Abstract $$^1$$ <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msup><mml:mrow/><mml:mn>1</mml:mn></mml:msup></mml:math> H ENDOR spectra of tyrosyl radicals (Y $$^\bullet$$ xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msup><mml:mrow/><mml:mo>∙</mml:mo></mml:msup></mml:math> ) have been the subject numerous EPR spectroscopic studies due to their importance in biology. Nevertheless, assignment all internal hyperfine couplings has challenging because substantial spectral...
Abstract Motivation Reconstructions of structure biomolecules, for instance via X-ray crystallography or cryo-EM frequently contain clashes atomic centers. Correction methods are usually based on simulations approximating biophysical chemistry, making them computationally expensive and often not correcting all clashes. Results We propose a fast data-driven statistical method yielding suites free from within-suite clashes: From such clash training data set, devising mode hunting after torus...
ENDOR spectroscopy is an important tool to determine the complicated three-dimensional structure of biomolecules and in particular enables measurements intramolecular distances. Usually, spectra are determined by averaging data matrix, which does not take into account significant thermal drifts that occur measurement process. In contrast, we present asymptotic analysis for homoscedastic drift model, a pioneering parametric model achieves striking fits practice allows both hypothesis testing...
Molecular structures of RNA molecules reconstructed from X-ray crystallography frequently contain errors. Motivated by this problem we examine clustering on a torus since shapes can be described dihedral angles. A previously developed method for data involves two tuning parameters and assess results different parameter values in relation to the so-called clashes. This is part dynamically evolving field statistics manifolds. Statistical problems highlight general challenges Therefore, PCA...