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SAR and QSAR in Environmental Research Volume 32, 2021 - Issue 9
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Research Article

Molecular modelling on SARS-CoV-2 papain-like protease: an integrated study with homology modelling, molecular docking, and molecular dynamics simulations

A. Arwansyaha Department of Chemistry, Faculty of Science, Cokroaminoto University of Palopo, Palopo, IndonesiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0003-1784-5942
ORCID Icon,
A.R. Arifb Department of Chemistry, Faculty of Mathematics and Natural Sciences, Hasanuddin University, Makassar, IndonesiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0001-8722-2949
ORCID Icon,
I. Ramlic Department of Physics, Faculty of Science, Cokroaminoto University of Palopo, Palopo, IndonesiaORCID Iconhttps://orcid.org/0000-0002-6805-4959
ORCID Icon,
I. Kurniawand School of Computing, Telkom University, Bandung, Indonesia;e Research Center of Human Centric Engineering, Telkom University, Bandung, IndonesiaORCID Iconhttps://orcid.org/0000-0003-3485-3063
ORCID Icon,
S. Sukartia Department of Chemistry, Faculty of Science, Cokroaminoto University of Palopo, Palopo, IndonesiaORCID Iconhttps://orcid.org/0000-0002-6512-6400
ORCID Icon,
M. Nur Alama Department of Chemistry, Faculty of Science, Cokroaminoto University of Palopo, Palopo, IndonesiaORCID Iconhttps://orcid.org/0000-0002-7006-5809
ORCID Icon,
I. Illinga Department of Chemistry, Faculty of Science, Cokroaminoto University of Palopo, Palopo, Indonesia
,
A. Farid Lewaf Department of Nutrition, Poltekkes Kemenkes Palu, Palu, Indonesia
&
B. Manguntungig Department of Biotechnology, Faculty of Biotechnology, Sumbawa University of Technology, Sumbawa, Indonesia
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Pages 699-718 | Received 11 May 2021, Accepted 21 Jul 2021, Published online: 16 Aug 2021

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Read on this site (3)

Farheen Naz, Imran Khan, Soukayna Baammi & Asimul Islam. (2023) Investigation of the interactions of HSA and SARS-CoV-2 papain-like protease against eugenol for novel COVID-19 drug discovery: spectroscopic and insilico study. Journal of Biomolecular Structure and Dynamics 41:19, pages 10161-10170.
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A. Arwansyah, A.R. Arif, A. Kade, M. Taiyeb, I. Ramli, T. Santoso, P. Ningsih, H. Natsir, T. Tahril & K. Uday Kumar. (2022) Molecular modelling on multiepitope-based vaccine against SARS-CoV-2 using immunoinformatics, molecular docking, and molecular dynamics simulation. SAR and QSAR in Environmental Research 33:9, pages 649-675.
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B. Sepehri, R. Ghavami, F. Mahmoudi, M. Irani, R. Ahmadi & D. Moradi. (2022) Identifying SARS-CoV-2 main protease inhibitors by applying the computer screening of a large database of molecules. SAR and QSAR in Environmental Research 33:5, pages 341-356.
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Articles from other publishers (2)

Hasnah Natsir, Abdur Rahman Arif, Abdul Wahid Wahab, Prastawa Budi, Rugaiyah Andi Arfah, Arwansyah Arwansyah, Ahmad Fudholi, Ni Luh Suriani & Achmad Himawan. (2022) Inhibitory effects of Moringa oleifera leaves extract on xanthine oxidase activity from bovine milk. Pharmacia 69:2, pages 363-375.
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Arwansyah Arwansyah, Abdur Rahman Arif, Irwan Ramli, Hasrianti Hasrianti, Isman Kurniawan, Laksmi Ambarsari, Tony Ibnu Sumaryada & Mushawwir Taiyeb. (2022) Investigation of Active Compounds of Brucea Javanica In Treating Hypertension Using A Network Pharmacology‐Based Analysis Combined with Homology Modeling, Molecular Docking and Molecular Dynamics Simulation . ChemistrySelect 7:1.
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