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Molecular Simulation Volume 48, 2022 - Issue 4
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Molecular dynamics investigation of ivermectin bound to importin alpha/beta heterodimer

Mossammad U. C. Sultanaa Division of Infectious Diseases and Division of Computer-Aided Drug Design, The Red-Green Research Centre, BICCB, Dhaka, Bangladesh
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Md. Giash Uddina Division of Infectious Diseases and Division of Computer-Aided Drug Design, The Red-Green Research Centre, BICCB, Dhaka, Bangladesh;b Department of Pharmacy, University of Chittagong, Chittagong, Bangladesh
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Md. Billal Hossaina Division of Infectious Diseases and Division of Computer-Aided Drug Design, The Red-Green Research Centre, BICCB, Dhaka, Bangladesh
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Md Ackas Alia Division of Infectious Diseases and Division of Computer-Aided Drug Design, The Red-Green Research Centre, BICCB, Dhaka, Bangladesh
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Zannatul Ferdous Soniaa Division of Infectious Diseases and Division of Computer-Aided Drug Design, The Red-Green Research Centre, BICCB, Dhaka, Bangladesh
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Suprio Kamala Division of Infectious Diseases and Division of Computer-Aided Drug Design, The Red-Green Research Centre, BICCB, Dhaka, Bangladesh
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Mohammad A. Halimc Department of Chemistry and Biochemistry, Kennesaw State University, Kennesaw, GA, USACorrespondence[email protected]
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Pages 314-321 | Received 07 Feb 2021, Accepted 23 Nov 2021, Published online: 22 Dec 2021

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Arpana Parihar, Sayeda Samina Ahmed, Palak Sharma, Nishant Kumar Choudhary, Farjana Akter, Md Ackas Ali, Zannatul Ferdous Sonia & Raju Khan. (2023) Plant-based bioactive molecules for targeting of endoribonuclease using steered molecular dynamic simulation approach: a highly conserved therapeutic target against variants of SARS-CoV-2. Molecular Simulation 49:12, pages 1267-1279.
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Sourav Biswas, Md. Rubel Hossen, Shaila Akter, Md. Ackas Ali, Mohammad A. Halim & M. Obayed Ullah. (2023) Structural dynamics and functional analysis of Saprolegnia parasitica chitin synthases 5 in a phospholipid bilayer. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-14.
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Ruo-yu Li, Jia-li Xie, Dan Meng & Ping Deng. (2022) Virtual screening of lead compounds for the treatment of Alzheimer’s disease based on multi-target strategy. Molecular Simulation 48:17, pages 1533-1547.
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