Searching for authors named "Thomas Steinke" – sorted by Relevance.
6 documents found, showing 1 through 6.
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Tools for parallel quantum chemistry software
- …published in…
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Visualization of Vector Fields in Quantum Chemistry
- …Many interesting phenomena in molecular systems like interactions between macromolecules, protein-substrate docking, or channeling processes in membranes are gouverned to a high degree by classical Coulomb or van-der-Waals forces. The visualization of these force fields is important for verifying nu…
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BMC Bioinformatics Methodology article Connectivity independent protein-structure alignment: a hierarchical approach
- …Background: Protein-structure alignment is a fundamental tool to study protein function, evolution and model building. In the last decade several methods for structure alignment were introduced, but most of them ignore that structurally similar proteins can share the same spatial arrangement of seco…
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1 TOOLS FOR PARALLEL QUANTUM CHEMISTRY SOFTWARE
- …Permission to make digital or hard copies of portions of this work for personal or classroom use is granted provided that the copies are not made or distributed for profit or commercial advantage and that copies bear this notice and the full citation on the first page. To copy otherwise requires pri…
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BMC Bioinformatics BioMed Central Database Columba: an integrated database of proteins, structures, and
- …Background: Structural and functional research often requires the computation of sets of protein structures based on certain properties of the proteins, such as sequence features, fold classification, or functional annotation. Compiling such sets using current web resources is tedious because the ne…
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Columba - A Database of Annotations of Protein Structure
- …Introduction Researchers on protein structures are often interested in sets of proteins sharing certain properties, such as subfolds, protein function, organism source, or pathways. Being able to generate such sets quickly has two major applications. First, researchers may select such a set to perf…
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