9 Result(s)
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Dongqing Wei
Enzymology
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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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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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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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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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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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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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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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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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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...
