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Polycyclic Aromatic Compounds Volume 42, 2022 - Issue 10
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Research Articles

Estimation of Binding Sites of Efavirenz with 3EO9 Receptor: In Silico Molecular Docking and Molecular Dynamics Studies

Gargi Tiwaria Department of Physics, Patna University, Patna, India
,
Madan Singh Chauhanb Department of Physics, DDU Gorakhpur University, Gorakhpur, India
&
Dipendra Sharmab Department of Physics, DDU Gorakhpur University, Gorakhpur, IndiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0002-3835-7959
ORCID Icon
Pages 7256-7266 | Received 14 Apr 2021, Accepted 19 Oct 2021, Published online: 29 Oct 2021

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Aysha Fatima, Ghazala Khanum, Arun Sharma, Nazia Siddiqui, R. J. Butcher, Sanjay Kumar Srivastava & Saleem Javed. (2023) Synthesis, Crystal Structure, DFT Studies on Tetramethyl-(p-Tolyl)-Hexahydro-1H-Xanthene-1,8(2H)-Dione. Polycyclic Aromatic Compounds 43:10, pages 9210-9232.
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Fei Xiong, Lu Chen, Yan-jun Zhang, Yi-ren Zhu, Chen Sun, Chao Ma, Shuai-jun Zhang & Zhong-hua Wang. (2023) Molecular Modeling and Docking Studies of 2,4,5-Trisubstituted Pyrimidines as HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors. Polycyclic Aromatic Compounds 43:9, pages 7870-7889.
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Gargi Tiwari, Madan Singh Chauhan & Dipendra Sharma. (2023) Systematic In Silico Studies of Corticosteroids and Its Binding Affinities with Glucocorticoid Receptor for Covid-19 Treatment: Ab-Initio, Molecular Docking and MD Simulation Studies. Polycyclic Aromatic Compounds 43:5, pages 4654-4669.
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