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Journal of Biomolecular Structure and Dynamics Volume 40, 2022 - Issue 21
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Research Articles

Computational studies on phylogeny and drug designing using molecular simulations for COVID-19

Faisal Nabia Interdisciplinary Biotechnology Unit, Aligarh Muslim University, Aligarh, IndiaORCID Iconhttps://orcid.org/0000-0002-5236-9905
ORCID Icon,
Owais Ahmada Interdisciplinary Biotechnology Unit, Aligarh Muslim University, Aligarh, India
,
Yawar Ali Khanb Department of Bioengeenering, Intergral University, Lucknow, India
,
Anas Nabic Department of Computer Science, Vivekanand College of Technology and Management, Aligarh, India
,
Hashmi Md Amiruddina Interdisciplinary Biotechnology Unit, Aligarh Muslim University, Aligarh, IndiaORCID Iconhttps://orcid.org/0000-0002-7230-3962
ORCID Icon,
Faizan Abul Qaisd Department of Agricultural Microbiology, Faculty of Agricultural Sciences, Aligarh Muslim University, Aligarh, UP, IndiaORCID Iconhttps://orcid.org/0000-0002-9457-6515
ORCID Icon,
Aiman Masroora Interdisciplinary Biotechnology Unit, Aligarh Muslim University, Aligarh, India
,
Malik Hisamuddina Interdisciplinary Biotechnology Unit, Aligarh Muslim University, Aligarh, India
,
Vladimir N. Uverskye Protein Research Group, Institute for Biological Instrumentation of the Russian Academy of Sciences, Federal Research Center “Pushchino Scientific Center for Biological Research of the Russian Academy of Sciences”, Pushchino, Moscow Region, Russia;f Department of Molecular Medicine, USF Health Byrd Alzheimer's Research Institute, Morsani College of Medicine, University of South Florida, Tampa, FL, United States
&
Rizwan Hasan Khana Interdisciplinary Biotechnology Unit, Aligarh Muslim University, Aligarh, IndiaCorrespondence[email protected] [email protected]
ORCID Iconhttps://orcid.org/0000-0002-9965-8982
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Pages 10753-10762 | Received 22 Oct 2020, Accepted 21 Jun 2021, Published online: 19 Jul 2021

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Mohammed A. Hosen, Faizan A. Qais, Samir Chtita, Ibrahim A. Rahman, Ahmed M. Almehdi, Ferdausi Ali, Faisal A. Almalki, Taibi B. Hadda, Hamid Laaroussi & Sarkar M. A. Kawsar. (2023) In silico and POM analysis for potential antimicrobial agents of thymidine analogs by using molecular docking, molecular dynamics and ADMET profiling. Nucleosides, Nucleotides & Nucleic Acids 42:11, pages 877-918.
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Hassan Nour, Achraf Abdou, Salah Belaidi, JamalEddine Jamal, Abdelhakim Elmakssoudi, Mohamed Dakir & Samir Chtita. (2022) Discovery of promising cholinesterase inhibitors for Alzheimer's disease treatment through DFT, docking, and molecular dynamics studies of eugenol derivatives. Journal of the Chinese Chemical Society 69:9, pages 1534-1551.
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Mubashir Aziz, Syeda Abida Ejaz, Nissren Tamam, Farhan Siddique, Naheed Riaz, Faizan Abul Qais, Samir Chtita & Jamshed Iqbal. (2022) Identification of potent inhibitors of NEK7 protein using a comprehensive computational approach. Scientific Reports 12:1.
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Romano Strobelt, Julia Adler, Nir Paran, Yfat Yahalom-Ronen, Sharon Melamed, Boaz Politi, Ziv Shulman, Dominik Schmiedel & Yosef Shaul. (2022) Imatinib inhibits SARS-CoV-2 infection by an off-target-mechanism. Scientific Reports 12:1.
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