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Journal of Biomolecular Structure and Dynamics Volume 40, 2022 - Issue 10
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Research Articles

Identification of potent human carbonic anhydrase IX inhibitors: a combination of pharmacophore modeling, 3D-QSAR, virtual screening and molecular dynamics simulations

Varun ChahalComputational Chemistry Laboratory, Department of Chemistry, University of Delhi, Delhi, IndiaView further author information
,
Sonam NirwanComputational Chemistry Laboratory, Department of Chemistry, University of Delhi, Delhi, IndiaView further author information
,
Mallika PathakComputational Chemistry Laboratory, Department of Chemistry, University of Delhi, Delhi, IndiaView further author information
&
Rita KakkarComputational Chemistry Laboratory, Department of Chemistry, University of Delhi, Delhi, IndiaCorrespondence[email protected]
View further author information
Pages 4516-4531 | Received 31 Mar 2020, Accepted 01 Dec 2020, Published online: 15 Dec 2020

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Sruthi Peesapati & Durba Roy. (2023) Structural and spectroscopic details of polysaccharide–bile acid composites from molecular dynamics simulations. Journal of Biomolecular Structure and Dynamics 41:18, pages 8782-8794.
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Satyajit Khatua & Srabani Taraphder. (2023) In the footsteps of an inhibitor unbinding from the active site of human carbonic anhydrase II. Journal of Biomolecular Structure and Dynamics 41:8, pages 3187-3204.
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Mateusz Kciuk, Adrianna Gielecińska, Somdutt Mujwar, Mariusz Mojzych, Beata Marciniak, Rafał Drozda & Renata Kontek. (2022) Targeting carbonic anhydrase IX and XII isoforms with small molecule inhibitors and monoclonal antibodies. Journal of Enzyme Inhibition and Medicinal Chemistry 37:1, pages 1278-1298.
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Articles from other publishers (1)

An-Ping Xiang, Xiao-Nong Chen, Peng-Fei Xu, Si-Hai Shao & Yue-Fan Shen. (2022) Expression and prognostic value of carbonic anhydrase IX (CA-IX) in bladder urothelial carcinoma. BMC Urology 22:1.
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