J
Jiazhong Li
Researcher at Lanzhou University
Publications - 54
Citations - 865
Jiazhong Li is an academic researcher from Lanzhou University. The author has contributed to research in topics: Quantitative structure–activity relationship & Androgen receptor. The author has an hindex of 17, co-authored 49 publications receiving 725 citations. Previous affiliations of Jiazhong Li include University of Insubria.
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Molecular modeling study of checkpoint kinase 1 inhibitors by multiple docking strategies and prime/MM–GBSA calculation
TL;DR: The molecular docking combined with Prime/MM–GBSA simulation can not only be used to rapidly and accurately predict the binding‐free energy of novel Chk1 inhibitors but also provide a novel strategy for lead discovery and optimization targeting Chk 1.
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Exploring the Influence of Carbon Nanoparticles on the Formation of β-Sheet-Rich Oligomers of IAPP22-28 Peptide by Molecular Dynamics Simulation
TL;DR: This study uses molecular dynamics simulations to explore the effects of three kinds of carbon nanomaterials including graphene, carbon nanotube and C60 on the aggregation behavior of islet amyloid polypeptide fragment 22–28 (IAPP22–28).
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Structure-activity relationship study of oxindole-based inhibitors of cyclin-dependent kinases based on least-squares support vector machines.
TL;DR: The least-squares support vector machines, as an effective modified algorithm of support vector machine, was used to build structure-activity relationship (SAR) models to classify the oxindole-based inhibitors of cyclin-dependent kinases (CDKs) based on their activity.
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QSAR study of malonyl-CoA decarboxylase inhibitors using GA-MLR and a new strategy of consensus modeling.
TL;DR: The obtained results prove that QGMS is a reliable and practical method to guide the submodel selection in consensus modeling building and the weighted consensus model (WCM) strategy is superior to the simple ACM.
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Molecular mechanism of R-bicalutamide switching from androgen receptor antagonist to agonist induced by amino acid mutations using molecular dynamics simulations and free energy calculation
TL;DR: Results indicate that helix H12, which lies on the top of AR LBD like a cover, plays a vital role in R-bicalutamide binding, and M895 is found to be a key residue in the antagonist mechanism.