Registry Catalogue

StructureProfiler is a tool for the automated quality assessment of protein–ligand complex structures. It evaluates sets of three-dimensional structures using multiple quality indicators covering the overall structural model, the binding site, and the ligand. These indicators include model-level parameters such as the R factor, active-site properties such as bond-length deviations, and ligand-specific criteria such as electron density support and torsion-angle validity. Key benefits Automated quality profiling of protein–ligand complex structures Combines model-, binding-site-, and ligand-level quality indicators Supports consistent comparison of multiple structures Helps identify structures that may be unsuitable for downstream computational analyses Reduces the effort required for manual structure inspection Supports transparent and reproducible structure selection Applications Selection of protein–ligand complexes for docking and modelling studies Quality control before structure-based drug design Assessment of experimental structure quality Identification of problematic ligands or binding-site geometries Evaluation of benchmark datasets for method development Comparison and prioritization of alternative structural models Intended use StructureProfiler is intended for structural biologists, medicinal chemists, computational chemists, and researchers in structure-based drug discovery who need to assess the quality and suitability of protein–ligand complex structures before using them in computational experiments, benchmarking, or method evaluation.

tRNA Database – Collection of Genomic and Mitochondrial tRNAs The tRNA Database provides a comprehensive collection of genomic and mitochondrial transfer RNAs (tRNAs), including their sequences, secondary structures, and genomic locations. It enables researchers to explore and compare tRNA genes across a wide range of organisms, supporting studies in molecular biology, evolution, and functional genomics. Key benefits Centralized repository of genomic and mitochondrial tRNA data Includes sequences, structural information, and genomic coordinates Supports comparative and evolutionary analyses across species Web-accessible resource for quick data retrieval Facilitates research in translation and RNA biology Applications Comparative analysis of tRNA genes across organisms Investigation of tRNA structure and function Studies on mitochondrial and nuclear-encoded tRNAs Annotation and validation of tRNA genes in genomic data Evolutionary analysis of RNA sequences and structures Intended use The tRNA Database is intended for molecular biologists, bioinformaticians, and evolutionary researchers working with RNA sequences and genome annotations. It is particularly suited for users who require structured access to curated tRNA data for analysis and comparison.

WebApps provide user-friendly, web-based access to mass spectrometry data analysis and visualization workflows built using the OpenMS ecosystem. The service enables researchers to process, inspect, and interpret MS-based proteomics, metabolomics, and related omics data directly through interactive browser interfaces, without requiring local software installation or command-line expertise. The platform is designed to make advanced OpenMS functionality more accessible to life scientists, bioinformaticians, and method developers. It supports interactive data exploration, visual quality control, workflow execution, and result inspection in a reproducible and shareable environment. By combining established OpenMS algorithms with modern web technologies, the WebApps lowers the barrier for applying computational mass spectrometry methods in research, teaching, and collaborative projects. Typical use cases include interactive visualization of spectra and identifications, exploration of search results, quality control reporting, targeted workflow interfaces, and educational demonstrations. The service can also serve as a template for developing specialized web applications around OpenMS tools and workflows. Key features: - Web-based access to OpenMS-powered MS analysis tools - Interactive visualization and inspection of mass spectrometry data - No local installation required for end users - Support for reproducible and shareable analysis sessions - Extensible framework for building domain-specific MS web applications - Suitable for research, teaching, and training Target users: OpenMS WebApps is intended for experimental scientists, bioinformaticians, software developers, and educators who want accessible, interactive, and reproducible tools for computational mass spectrometry. For a full list of provided WebApps visit: https://openms.de/