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Article
Open AccessMF-MNER: Multi-models Fusion for MNER in Chinese Clinical Electronic Medical Records
To address the problem of poor entity recognition performance caused by the lack of Chinese annotation in clinical electronic medical records, this paper proposes a multi-medical entity recognition method F-MN...
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Article
Open AccessWGX50 mitigates doxorubicin-induced cardiotoxicity through inhibition of mitochondrial ROS and ferroptosis
Doxorubicin (DOX)-induced cardiotoxicity (DIC) is a major impediment to its clinical application. It is indispensable to explore alternative treatment molecules or drugs for mitigating DIC. WGX50, an organic e...
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Article
A Self-attention Graph Convolutional Network for Precision Multi-tumor Early Diagnostics with DNA Methylation Data
DNA methylation-based precision tumor early diagnostics is emerging as state-of-the-art technology that could capture early cancer signs 3 ~ 5 years in advance, even for clinically homogenous groups. Presently...
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Article
Structural and functional exploration of three newly identified coagulation factor IX mutations in Chinese hemophilia B patients
To structurally and functionally characterize three newly identified F9 missense mutations, C268Y, I316F, and G413V, in Chinese hemophilia B patients.
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Article
Open AccessIntegrated models of blood protein and metabolite enhance the diagnostic accuracy for Non-Small Cell Lung Cancer
For early screening and diagnosis of non-small cell lung cancer (NSCLC), a robust model based on plasma proteomics and metabolomics is required for accurate and accessible non-invasive detection. Here we aim t...
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Article
Discovery of a Natural Product with Potent Efficacy Against SARS-CoV-2 by Drug Screening
The novel coronavirus disease 2019 (COVID-19) caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has spread worldwide for almost 2 years. It starts from viral adherence to host cells throug...
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Article
Exploring the Molecular Basis of Substrate and Product Selectivities of Nocardicin Bifunctional Thioesterase
d-amino acid introduction in peptides can enrich their biological activities and pharmacological properties as potential drugs. This achievement of stereochemical inversion usually owes to an epimerase or racem.....
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Article
Prediction of Protein Solubility Based on Sequence Feature Fusion and DDcCNN
Prediction of protein solubility is an indispensable prerequisite for pharmaceutical research and production. The general and specific objective of this work is to design a new model for predicting protein sol...
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Article
A novel multi-dimension inorganic–organic hybrid aerogel and its electrochemical behavior
Halloysite nanotubes (HNTs) were widely concerned in the research of electrode materials for supercapacitors because it had many advantages, such as abundant natural reserves, non-toxic, large specific surface...
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Chapter and Conference Paper
CFCN: A Multi-scale Fully Convolutional Network with Dilated Convolution for Nuclei Classification and Localization
Nuclei classification in histology images is a fundamental task in histopathological analysis. However, automated nuclei classification methods usually face problems such as unbalanced samples and significant ...
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Article
Fabrication of anti-icing surface with halloysite spherical microcapsule
The construction of halloysite spherical capsules (halloysite aerogels) was reported for the first time in our previous work. The excellent performance of the microcapsule in functional carrying was also found...
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Article
Open AccessStoichioproteomics reveal oxygen usage bias, key proteins and pathways in glioma
The five-year survival rate and therapeutic effect of malignant glioma is low. Identification of key/associated proteins and pathways in glioma is necessary for develo** effective diagnosis and targeted ther...
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Article
Open AccessAuthor Correction: Pressure-Induced Crystallization and Phase Transformation of Para-xylene
A correction to this article has been published and is linked from the HTML and PDF versions of this paper. The error has not been fixed in the paper.
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Article
Open AccessPressure-Induced Crystallization and Phase Transformation of Para-xylene
Static pressure is an alternative method to chemical pressure for tuning the crystal structure, bonds, and physical properties of materials, and is a significant technique for the synthesis of novel materials ...
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Article
Conformational Preferences of π–π Stacking Between Ligand and Protein, Analysis Derived from Crystal Structure Data Geometric Preference of π–π Interaction
π–π Interaction is a direct attractive non-covalent interaction between aromatic moieties, playing an important role in DNA stabilization, drug intercalation, etc. Aromatic rings interact through several differe...
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Article
Molecular dynamics simulation studies of the wild type and E92Q/N155H mutant of Elvitegravir-resistance HIV-1 integrase
Although Elvitegravir (EVG) is a newly developed antiretrovirals drug to treat the acquired immunodeficiency syndrome (AIDS), drug resistance has already been found in clinic, such as E92Q/N155H and Q148H/G140...
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Book
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Chapter
Introduction to Structural Bioinformatics
Structural Bioinformatics is one of the hot spots of interdisciplinary sciences and obtained amazing advances in recent years. The first chapter overviews the concept of structural bioinformatics, and briefly ...
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Chapter
The α7 nAChR Selective Agonists as Drug Candidates for Alzheimer’s Disease
The nicotinic acetylcholine receptors (nAChRs) are ion channels distribute in the central or peripheral nervous system. They are receptors of the neurotransmitter acetylcholine and activation of them by agonis...
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Chapter
Recent Progress on Structural Bioinformatics Research of Cytochrome P450 and Its Impact on Drug Discovery
Cytochrome P450 is predominantly responsible for human drug metabolism, which is of critical importance for drug discovery and development. Structural bioinformatics focuses on analysis and prediction of three...
