Yangzhi Wang

Combinatorial docking and molecular generation to navigate over 100-billion molecules for prospective ligand discovery

Jianxiang Zhang, Chao Yang, Yu Zhang, Xiao Chen et autres

Abstract Commercially available make-on-demand libraries now exceed 100 billion compounds, requiring over 50 years to screen on 2,000 CPU cores using conventional docking. We present two complementary approaches to address this challenge. CombiDOCK, a combinatorial docking framework, enables exhaustive screening at the …

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A Data-Driven Method for Identifying Similarity in Transmission Sections Considering Energy Storage Regulation Capabilities

Leibao Wang, Wenkai Zhao, Junru Gong, Jifeng Liang et autres

To address the challenges of real-time control in power systems with high renewable penetration, identifying historical transmission sections similar to future scenarios enables efficient reuse of mature control strategies. However, existing data-driven identification methods exhibit two primary limitations: they typically rely on …

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G-Quadruplex Unwinding Molecular Mechanisms by Helicases and Their Applications

Jiawen Sun, Yangzhi Wang, Yihua Huang, Zhongzhou Chen

G-quadruplexes (G4s) are specialized nucleic acid structures extensively formed throughout the genome, with particular enrichment in regulatory regions such as telomeres, promoters, and transcriptional enhancers. These four-stranded assemblies are involved in multiple chromosomal processes, including DNA replication, transcription, maintenance of genomic stability, …

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Individualized structure–function coupling reveals behavioral signatures in the adolescent brain

Bahram Jafrasteh, Yangzhi Wang, Qingyu Hu, Keith Jamison et autres

Abstract Adolescence is a critical period of brain maturation, yet how functional dynamics relate to white-matter microstructure at the individual level remains poorly understood. We developed a machine learning workflow to predict fractional anisotropy (FA) from distributed resting-state functional connectivity (FC) in …

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Covalent Degrader of the Oncogenic Transcription Factor β-Catenin

Flor A. Gowans, Nafsika Forte, J. D. Hatcher, Oscar W. Huang et autres

β-catenin (CTNNB1) is an oncogenic transcription factor that is important in cell-cell adhesion and transcription of cell proliferation and survival genes that drive the pathogenesis of many different types of cancers. However, direct pharmacological targeting of CTNNB1 has remained challenging. Here, we …

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Ophiobolin A Covalently Targets Mitochondrial Complex IV Leading to Metabolic Collapse in Cancer Cells

Flor A. Gowans, Danny Q. Thach, Zhouyang Zhu, Yangzhi Wang et autres

Ophiobolin A (OPA) is a sesterterpenoid fungal natural product with broad anticancer activity. While OPA possesses multiple electrophilic moieties that can covalently react with nucleophilic amino acids on proteins, the proteome-wide targets and mechanism of OPA remain poorly understood in many contexts. …

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Covalent Degrader of the Oncogenic Transcription Factor β-Catenin

Flor A. Gowans, Nafsika Forte, J. D. Hatcher, Oscar W. Huang et autres

β-catenin (CTNNB1) is an oncogenic transcription factor that is important in cell-cell adhesion and transcription of cell proliferation and survival genes that drives the pathogenesis of many different types of cancers. However, direct pharmacological targeting of CTNNB1 has remained challenging deeming this …

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Infrared Image Recovery Algorithm Based on MSR and CLAHE Algorithm Fusion

Ruibin Zou, Yangzhi Wang, Yilu Chen, Ning Li

In this paper, an infrared image restoration algorithm based on the combination of Retinex algorithm and CLAHE algorithm is proposed to solve the problem of local detail loss and target information blurring caused by uneven illumination of infrared image. Firstly, the multi-scale …

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Research on Pedestrian Detection Based on Jetson Xavier NX Platform and YOLOv4

Yangzhi Wang, Ruibin Zou, Yilu Chen, Zhenxing Gao

With the rapid development of deep learning, object detection technology has been widely used in various fields. Pedestrian detection, as an important part of object detection, has also received attention and development. However, the development also brings a series of challenges. The …

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Versatile flexible SERS substrate for in situ detection of contaminants in water and fruits based on Ag NPs decorated wrinkled PDMS film

Houjia Zhang, Zhaoyi Zhang, Hongjun Wang, Lili Huang et autres

Flexible surface-enhanced Raman spectroscopy (SERS) substrate has attracted great attention due to its convenient sampling and on-site monitoring capability. However, it is still challenging to fabricate a versatile flexible SERS substrate, which can be used for in situ detection of analytes either …

Ag NPs@PDMS nanoripple array films as SERS substrates for rapid in situ detection of pesticide residues

Xiaojian Li, Lijun Li, Yangzhi Wang, Xuehui Hao et autres

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Ophiobolin A Covalently Targets Complex IV Leading to Mitochondrial Metabolic Collapse in Cancer Cells

Flor A. Gowans, Danny Q. Thach, Yangzhi Wang, Belen E. Altamirano Poblano et autres

Ophiobolin A (OPA) is a sesterterpenoid fungal natural product with broad anti-cancer activity. While OPA possesses multiple electrophilic moieties that can covalently react with nucleophilic amino acids on proteins, the proteome-wide targets and mechanism of OPA remain poorly understood in many contexts. …

us, ch (code pays fourni par la source)