Publications by authors named "Xinyun Guo"

Article Synopsis
  • DNA-encoded library (DEL) technology combined with machine learning (ML) helps in discovering new drug inhibitors effectively and cost-efficiently.
  • The study focuses on heme oxygenase-1 (HO-1), an enzyme linked to serious diseases, and reports the discovery of five new series of potential inhibitors using a DEL-ML approach.
  • Notably, 37% of the new molecules showed strong binding affinity to HO-1, with some demonstrating over 100-fold selectivity for HO-1 compared to related enzymes, showcasing their structural novelty and potential for further research.
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Boron-doped diamond thin films exhibit extensive applications in chemical sensing, in which the performance could be further enhanced by nano-structuring of the surfaces. In order to discover the relationship between diamond nanostructures and properties, this paper is dedicated to deep learning target detection methods. However, great challenges, such as noise, unclear target boundaries, and mutual occlusion between targets, are inevitable during the target detection of nanostructures.

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Motivation: Efficiently identifying genes based on gene expression level have been studied to help to classify different cancer types and improve the prediction performance. Logistic regression model based on regularization technique is often one of the effective approaches for simultaneously realizing prediction and feature (gene) selection in genomic data of high dimensionality. However, standard methods ignore biological group structure and generally result in poorer predictive models.

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With the development of biotechnology, a large number of phosphorylation sites have been experimentally confirmed and collected, but only a few of them have kinase annotations. Since experimental methods to detect kinases at specific phosphorylation sites are expensive and accidental, some computational methods have been proposed to predict the kinase of these sites, but most methods only consider single sequence information or single functional network information. In this study, a new method Predicting Kinase of Specific Phosphorylation Sites (PKSPS) is developed to predict kinases of specific phosphorylation sites in human proteins by combining PKSPS-Net with PKSPS-Seq, which considers protein-protein interaction (PPI) network information and sequence information.

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Clathrin is a highly evolutionarily conserved protein, which can affect membrane cleavage and membrane release of vesicles. The absence of clathrin in the cellular system affects a variety of human diseases. Effective recognition of clathrin plays an important role in the development of drugs to treat related diseases.

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Lysine acetylation is one of the most important types of protein post-translational modifications (PTM) that are widely involved in cellular regulatory processes. To fully understand the regulatory mechanism of acetylation, identification of acetylation sites is first and most important. However, experimental identification of protein acetylation sites is often time consuming and expensive.

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The 15 parent PAHs in surface seawater from Qingdao coastal areas have been quantified by solid phase extraction-high performance liquid chromatography with fluorescent detection. The results showed that the concentration of total PAHs ranged from 8.23 ng x L(-1) to 272.

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