Chemical Hieroglyphs: Abstract Depiction of Complex Void Space Topology of Nanoporous Materials
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Background: The RCSB Protein Data Bank (PDB) provides public access to experimentally determined 3D-structures of biological macromolecules (proteins, peptides and nucleic acids). While various tools are available to explore the PDB, options to access the ...
The approach proposed here is linked to Maxwell’s reciprocal representation of force and geometry for structural modelling. It is based on the approach of Fivet & Zastavni [2014] of modelling interactive constraint-based structural equilibriums in which ge ...
Over the past decade, investigations in different fields have focused on studying and understanding real networks, ranging from biological to social to technological. These networks, called complex networks, exhibit common topological features, such as a h ...
Vicinal amino alcohols are important structural motifs of bioactive compounds. Reported herein is an efficient method for their synthesis based on the palladium-catalyzed oxy-alkynylation, oxy-arylation, or oxy-vinylation of allylic amines. High regio- and ...
Visualization tools can facilitate access to complex spatial phenomenon. This access is what the application to be presented aims at. As a case study to such a complex phenomenon, the addressed question is that of the commuters' space of the Swiss federal ...
Measurements of proton-driven carbon-13 spin diffusion (PDSD) by NMR spectroscopy are a central component of structural analyses of biomolecules in the solid-state. However, the quantitative link between experimental PDSD data and structural information is ...
Structures of biomolecular systems are increasingly computed by integrative modeling that relies on varied types of experimental data and theoretical information. We describe here the proceedings and conclusions from the first wwPDB Hybrid/Integrative Meth ...
The project goal was to explore the applications of spectral graph theory to address the inpainting problem of large missing chunks. We used a non-local patch graph representation of the image and proposed a structure detector which leverages the graph rep ...
The approach proposed here is linked to Maxwell’s reciprocal representation of force and geometry for structural modelling. It is based on the approach of Fivet & Zastavni [2014] of modelling interactive constraint-based structural equilibriums in which ge ...
This paper presents the MUST-VIS system for the MediaMixer/VideoLectures.NET Temporal Segmentation and Annotation Grand Challenge. The system allows users to visualize a lecture as a series of segments represented by keyword clouds, with relations to other ...