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Polycyclic Aromatic Compounds Volume 43, 2023 - Issue 9
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Research Articles

Molecular Modeling and Docking Studies of 2,4,5-Trisubstituted Pyrimidines as HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors

Fei Xionga Department of Chemistry, University of Shanghai for Science and Technology, Shanghai, PR ChinaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0002-1140-994XView further author information
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Lu Chena Department of Chemistry, University of Shanghai for Science and Technology, Shanghai, PR ChinaView further author information
,
Yan-jun Zhanga Department of Chemistry, University of Shanghai for Science and Technology, Shanghai, PR ChinaView further author information
,
Yi-ren Zhua Department of Chemistry, University of Shanghai for Science and Technology, Shanghai, PR ChinaView further author information
,
Chen Suna Department of Chemistry, University of Shanghai for Science and Technology, Shanghai, PR ChinaView further author information
,
Chao Maa Department of Chemistry, University of Shanghai for Science and Technology, Shanghai, PR ChinaView further author information
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Shuai-jun Zhanga Department of Chemistry, University of Shanghai for Science and Technology, Shanghai, PR ChinaView further author information
&
Zhong-hua Wangb School of Chemical and Environmental Engineering, Shanghai Institute of Technology, Shanghai, PR ChinaCorrespondence[email protected]
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Pages 7870-7889 | Received 08 Apr 2022, Accepted 24 Oct 2022, Published online: 13 Nov 2022

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Yanjun Zhang, Lu Chen, Zhonghua Wang, Yiren Zhu, Huifang Jiang, Jie Xu & Fei Xiong. (2023) Design of novel DABO derivatives as HIV-1 RT inhibitors using molecular docking, molecular dynamics simulations and ADMET properties. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-18.
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Articles from other publishers (1)

Lu Chen, Yanjun Zhang, Zhonghua Wang, Huifang Jiang, Jie Xu & Fei Xiong. (2023) Drug Design, Molecular Docking and Molecular Dynamics Simulations of Indole Class HIV‐1 NNRTIs Explored with QSAR and Topomer Search. ChemistrySelect 8:19.
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