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Saad Fettach, Fatima Zahra Thari, Zakaria Hafidi, Khalid Karrouchi, Kaoutar Bouathmany, Yahia Cherrah, Mohammed El Achouri, Laila Benbacer, Mohammed El Mzibri, Hassan Sefrioui, Khalid Bougrin & My El Abbes Faouzi. (2023) Biological, toxicological and molecular docking evaluations of isoxazoline-thiazolidine-2,4-dione analogues as new class of anti-hyperglycemic agents. Journal of Biomolecular Structure and Dynamics 41:3, pages 1072-1084.
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Avinash Kumar, Paridhi Agarwal, Ekta Rathi & Suvarna G. Kini. (2022) Computer-aided identification of human carbonic anhydrase isoenzyme VII inhibitors as potential antiepileptic agents. Journal of Biomolecular Structure and Dynamics 40:11, pages 4850-4865.
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Kader Sahin. (2022) In silico identification of angiotensin-1 converting enzyme inhibitors using text mining and virtual screening. Journal of Biomolecular Structure and Dynamics 40:3, pages 1152-1162.
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Kader Sahin. (2021) Investigation of novel indole-based HIV-1 protease inhibitors using virtual screening and text mining. Journal of Biomolecular Structure and Dynamics 39:10, pages 3638-3648.
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Cüneyt Türkeş, Yeliz Demir & Şükrü Beydemir. (2021) Calcium channel blockers: molecular docking and inhibition studies on carbonic anhydrase I and II isoenzymes. Journal of Biomolecular Structure and Dynamics 39:5, pages 1672-1680.
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Avinash Kumar, Sudhanshu Rai, Ekta Rathi, Paridhi Agarwal & Suvarna G. Kini. (2021) Pharmacophore-guided fragment-based design of novel mammalian target of rapamycin inhibitors: extra precision docking, fingerprint-based 2D and atom-based 3D-QSAR modelling. Journal of Biomolecular Structure and Dynamics 39:4, pages 1155-1173.
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Articles from other publishers (4)
Mackenzie Taylor & Junming Ho. (2023) MM/GBSA prediction of relative binding affinities of carbonic anhydrase inhibitors: effect of atomic charges and comparison with Autodock4Zn. Journal of Computer-Aided Molecular Design 37:4, pages 167-182.
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Martina Pierri, Erica Gazzillo, Maria Giovanna Chini, Maria Grazia Ferraro, Marialuisa Piccolo, Francesco Maione, Carlo Irace, Giuseppe Bifulco, Ines Bruno, Stefania Terracciano & Gianluigi Lauro. (2022) Introducing structure-based three-dimensional pharmacophore models for accelerating the discovery of selective BRD9 binders. Bioorganic Chemistry 118, pages 105480.
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Rahman Abdizadeh, Keihan Ghatreh-Samani, Farzin Hadizadeh & Tooba Abdizadeh. (2021) Structural investigation of isatin-based benzenesulfonamides as carbonic anhydrase isoform IX inhibitors endowed with anticancer activity using molecular modeling approaches. Journal of Molecular Structure 1229, pages 129735.
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Xiaoqian Lin, Xiu Li & Xubo Lin. (2020) A Review on Applications of Computational Methods in Drug Screening and Design. Molecules 25:6, pages 1375.
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