Results 21 to 30 of about 1,747,583 (341)
Frontiers in Immunology, 2021 The lipocalin beta-lactoglobulin (BLG) is a major protein compound in cow’s milk, and we detected it in cattle stable dust. BLG may be a novel player in the farm protective effect against atopic sensitization and hayfever.
Sheriene Moussa Afify +12 more
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CAT-Site: Predicting Protein Binding Sites Using a Convolutional Neural Network
Pharmaceutics, 2022 Identifying binding sites on the protein surface is an important part of computer-assisted drug design processes. Reliable prediction of binding sites not only assists with docking algorithms, but it can also explain the possible side-effects of a ...
Žan Hafner Petrovski +2 more
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LigParGen web server: an automatic OPLS-AA parameter generator for organic ligands
Nucleic Acids Res., 2017 The accurate calculation of protein/nucleic acid–ligand interactions or condensed phase properties by force field-based methods require a precise description of the energetics of intermolecular interactions.
Leela S. Dodda +3 more
semanticscholar +1 more source
Cancer Medicine, 2018 Stromal fibroblasts, which occupy a major portion of the tumor microenvironment, play an important role in cancer metastasis. Thus, targeting of these fibroblasts activated by cancer cells (carcinoma‐associated fibroblasts; CAFs) might aid in the ...
Kruthi Suvarna +4 more
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The Role of Ligands in the Chemical Synthesis and Applications of Inorganic Nanoparticles.
Chemical Reviews, 2019 The design of nanoparticles is critical for their efficient use in many applications ranging from biomedicine to sensing and energy. While shape and size are responsible for the properties of the inorganic nanoparticle core, the choice of ligands is of ...
Amelie Heuer-Jungemann +15 more
semanticscholar +1 more source
Metal–ligand cooperation at tethered π-ligands
Dalton Transactions, 2016 Recent advances in the use of tethered π-coordinating ligands for metal–ligand cooperation.
Dide G. A. Verhoeven, Marc-Etienne Moret
openaire +4 more sources
Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking
Journal of Medicinal Chemistry, 2012 A key metric to assess molecular docking remains ligand enrichment against challenging decoys. Whereas the directory of useful decoys (DUD) has been widely used, clear areas for optimization have emerged.
Michael M. Mysinger +3 more
semanticscholar +1 more source
Predicting target-ligand interactions using protein ligand-binding site and ligand substructures [PDF]
BMC Systems Biology, 2015 Cell proliferation, differentiation, Gene expression, metabolism, immunization and signal transduction require the participation of ligands and targets. It is a great challenge to identify rules governing molecular recognition between chemical topological substructures of ligands and the binding sites of the targets.We suppose that the ligand-target ...
Wang, Caihua +4 more
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Aptamer-Based Technologies in Foodborne Pathogen Detection
Frontiers in Microbiology, 2016 Aptamers are single stranded DNA or RNA ligands, which can be selected by a method called systematic evolution of ligands by exponential enrichment (SELEX); and they can specifically recognize and bind to their targets.
Jun Teng +7 more
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Translocator protein in the rise and fall of central nervous system neurons
Frontiers in Cellular Neuroscience, 2023 Translocator protein (TSPO), a 18 kDa protein found in the outer mitochondrial membrane, has historically been associated with the transport of cholesterol in highly steroidogenic tissues though it is found in all cells throughout the mammalian body ...
Garett Cheung +2 more
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