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19 Result(s)
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Dongqing Wei
Life Sciences
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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
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
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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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
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...
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Chapter
Applications of Rare Event Dynamics on the Free Energy Calculations for Membrane Protein Systems
Techniques of rare event dynamics were reviewed including the string methods, which will be implemented with the biochemical simulation packages. The existing methods were applied to study biological systems w...
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Chapter
Human Cytochrome P450 and Personalized Medicine
Personalized medicine has become a hot topic ascribed to the development of Human Genome Project. And currently, bioinformatics methodology plays an essential role in personal drug design. Here in this review ...
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Chapter
An Application of QM/MM Simulation: The Second Protonation of Cytochrome P450
The multiscale model strategy, hybrid quantum mechanics and molecular mechanics (QM/MM), has become more and more prevalent in the theoretical study of enzymatic reactions. It combines both the efficiency of t...
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Chapter
Drug Inhibition and Proton Conduction Mechanisms of the Influenza A M2 Proton Channel
The influenza A virus matrix protein 2 (M2 protein) is a pH-regulated proton channel embedded in the viral membrane. Inhibition of the M2 proton channel has been used to treat influenza infections for decades ...
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Chapter
Bioinformatics Tools for Discovery and Functional Analysis of Single Nucleotide Polymorphisms
With the high speed DNA sequencing of genome, databases of genome data continue to grow, and the understanding of genetic variation between individuals grows as well. Single nucleotide polymorphisms (SNPs), a ...
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Chapter
Exploring the Ligand-Protein Networks in Traditional Chinese Medicine: Current Databases, Methods and Applications
While the concept of “single component–single target” in drug discovery seems to have come to an end, “Multi-component–multi-target” is considered to be another promising way out in this field. The Traditional...
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Article
CYP-nsSNP: A specialized database focused on effect of non-synonymous SNPs on function of CYPs
The cytochrome P450 (CYP) enzymes play the central role in synthesis of endogenous substances and metabolism of xenobiotics. The substitution of single amino acid caused by non-synonymous single nucleotide pol...
