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Rapid automated iterative small-molecule synthesis
Automated iterative small-molecule synthesis has the potential to advance and democratize the discovery of new medicines, materials and many other...
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Enhanced map** of small-molecule binding sites in cells
Photoaffinity probes are routinely utilized to identify proteins that interact with small molecules. However, despite this common usage, resolving...
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Targeting the human gut microbiome with small-molecule inhibitors
The human gut microbiome is a complex microbial community that is strongly linked to both host health and disease. However, the detailed molecular...
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Large-scale analysis of small molecule-RNA interactions using multiplexed RNA structure libraries
The large-scale analysis of small-molecule binding to diverse RNA structures is key to understanding the required interaction properties and...
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Biophysical Analysis of Small Molecule Binding to Viral RNA Structures
RNA molecules are essential for carrying genetic information and regulating gene expression in most organisms including human pathogenic RNA and...
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Small molecule autoencoders: architecture engineering to optimize latent space utility and sustainability
Autoencoders are frequently used to embed molecules for training of downstream deep learning models. However, evaluation of the chemical information...
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CineMol: a programmatically accessible direct-to-SVG 3D small molecule drawer
Effective visualization of small molecules is paramount in conveying concepts and results in cheminformatics. Scalable vector graphics (SVG) are...
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Small-molecule organic electrode materials for rechargeable batteries
Small-molecule organic electrode materials (SMOEMs) have shown tremendous potential as cathodes or anodes for various rechargeable batteries...
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Molecular dynamics simulations as a guide for modulating small molecule aggregation
Small colloidally aggregating molecules (SCAMs) can be problematic for biological assays in drug discovery campaigns. However, the self-associating...
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Selecting small molecule DNA aptamers with significant conformational changes for constructing transcriptional switches and biosensors
Small molecule aptamers discovered by traditional selection methods usually lack conformational changes upon target binding. This limits the use of...
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Small molecule approaches to targeting RNA
The development of innovative methodologies to identify RNA binders has attracted enormous attention in chemical biology and drug discovery. Although...
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Prediction method of pharmacokinetic parameters of small molecule drugs based on GCN network model
ContextAccurately predicting plasma protein binding rate (PPBR) and oral bioavailability (OBA) helps to better reveal the absorption and distribution...
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Small molecule agonist of mitochondrial fusion repairs mitochondrial dysfunction
Membrane dynamics are important to the integrity and function of mitochondria. Defective mitochondrial fusion underlies the pathogenesis of multiple...
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A novel polymer enabled by polymerized small molecule strategy for tumor photothermal and photodynamic therapy
Photothermal therapy (PTT) and photodynamic therapy (PDT) are effective method for tumor treatment. However, the limited variety and quantity of...
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Profiling dynamic RNA–protein interactions using small-molecule-induced RNA editing
RNA-binding proteins (RBPs) play an important role in biology, and characterizing dynamic RNA–protein interactions is essential for understanding RBP...
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Molecular dynamics study on micelle-small molecule interactions: develo** a strategy for an extensive comparison
Theoretical predictions of the solubilizing capacity of micelles and vesicles present in intestinal fluid are important for the development of new...
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Small-molecule inhibition of the archetypal UbiB protein COQ8
Small-molecule tools have enabled mechanistic investigations and therapeutic targeting of the protein kinase-like (PKL) superfamily. However, such...
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A small molecule inhibitor prevents gut bacterial genotoxin production
The human gut bacterial genotoxin colibactin is a possible key driver of colorectal cancer (CRC) development. Understanding colibactin’s biological...
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Global profiling of functional histidines in live cells using small-molecule photosensitizer and chemical probe relay labelling
Recent advances in chemical proteomics have focused on develo** chemical probes that react with nucleophilic amino acid residues. Although...
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Expanding the search for small-molecule antibacterials by multidimensional profiling
New techniques for systematic profiling of small-molecule effects can enhance traditional growth inhibition screens for antibiotic discovery and...
