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Journal of Biomolecular Structure and Dynamics Volume 41, 2023 - Issue 12
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Research Articles

Interaction of 5-fluorouracil anticancer drug with nucleobases: insight from DFT, TD-DFT, and AIM calculations

Mahdi Rezaei-SametiDepartment of Applied Chemistry, Faculty of Science, Malayer University, Malayer, IranCorrespondence[email protected] [email protected]
&
Zohre Iraji BorojeniDepartment of Applied Chemistry, Faculty of Science, Malayer University, Malayer, Iran
Pages 5882-5893 | Received 22 Feb 2022, Accepted 01 Jul 2022, Published online: 22 Jul 2022

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Reda El-Mernissi, Ayoub Khaldan, Soukaina Bouamrane, Hafiz Muzzammel Rehman, Marwa Alaqarbeh, Mohammed Aziz Ajana, Tahar Lakhlifi & Mohammed Bouachrine. (2023) 3D-QSAR, molecular docking, simulation dynamic and ADMET studies on new quinolines derivatives against colorectal carcinoma activity. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-18.
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