Výsledky vyhledávání - "Nadia Dingelstad"

Akademický článek

Molecular dynamics and in silico mutagenesis on the reversible inhibitor-bound SARS-CoV-2 main protease complexes reveal the role of lateral pocket in enhancing the ligand affinity

Autor: Ying Li Weng, Shiv Rakesh Naik, Nadia Dingelstad, Miguel R. Lugo, Subha Kalyaanamoorthy, Aravindhan Ganesan

Publikováno v: Scientific Reports, Vol 11, Iss 1, Pp 1-22 (2021)

Abstract The 2019 novel coronavirus pandemic caused by SARS-CoV-2 remains a serious health threat to humans and there is an urgent need to develop therapeutics against this deadly virus. Recent scientific evidences have suggested that the main protea

Externí odkaz: https://doaj.org/article/95788b7704554fc2891bdc8195c71917

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Molecular dynamics and in silico mutagenesis on the reversible inhibitor-bound SARS-CoV-2 main protease complexes reveal the role of lateral pocket in enhancing the ligand affinity

Autor: Aravindhan Ganesan, Miguel R. Lugo, Ying Li Weng, Shiv Rakesh Naik, Subha Kalyaanamoorthy, Nadia Dingelstad

Publikováno v: Scientific Reports, Vol 11, Iss 1, Pp 1-22 (2021)
Scientific Reports

The 2019 novel coronavirus pandemic caused by SARS-CoV-2 remains a serious health threat to humans and there is an urgent need to develop therapeutics against this deadly virus. Recent scientific evidences have suggested that the main protease (Mpro)

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ca1fce437f548dcb1f90395afd4a42bd
https://doi.org/10.1038/s41598-021-86471-0

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Structure-based virtual screening, molecular dynamics and binding affinity calculations of some potential phytocompounds against SARS-CoV-2

Autor: Prashant Bharadwaj, Debprasad Chattopadhyay, Subhash C. Mandal, Subha Kalyaanamoorthy, Aravindhan Ganesan, Nadia Dingelstad, Partha Palit, Shiv Rakesh Naik

Publikováno v: Journal of biomolecular structuredynamics. 40(15)

COVID-19 caused by a positive-sense single stranded RNA virus named as severe acute respiratory syndrome-Coronavirus-2 (SARS-CoV-2) triggered the global pandemic. This virus has infected about 10.37 Crores and taken lives of 2.24 Crores people of 213

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::13b7f6c788704e20608a813626962b7b
https://pubmed.ncbi.nlm.nih.gov/33682632

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Molecular dynamics and in silico mutagenesis on the reversible inhibitor-bound SARS-CoV-2 Main Protease complexes reveal the role of a lateral pocket in enhancing the ligand affinity

Autor: Subha Kalyaanamoorthy, Aravindhan Ganesan, Shiv Rakesh Naik, Nadia Dingelstad, Ying Li Weng

The 2019 novel coronavirus pandemic caused by SARS-CoV-2 remains a serious health threat to humans and a number of countries are already in the middle of the second wave of infection. There is an urgent need to develop therapeutics against this deadl

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::3d70e54e80e8db838b7b0d3d8aa10005
https://doi.org/10.1101/2020.10.31.363309

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