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Computational repurposing approach for targeting the critical spike mutations in B.1.617.2 (delta), AY.1 (delta plus) and C.37 (lambda) SARS-CoV-2 variants using exhaustive structure-based virtual screening, molecular dynamic simulations and MM-PBSA methods.
Ebrahimi, Maryam; Karami, Leila; Alijanianzadeh, Mahdi.
Affiliation
  • Ebrahimi M; Department of Plant Biology, Faculty of Biological Sciences, Kharazmi University, Tehran, Iran.
  • Karami L; Department of Cell and Molecular Biology, Faculty of Biological Sciences, Kharazmi University, Tehran, Iran. Electronic address: l_karami@khu.ac.ir.
  • Alijanianzadeh M; Department of Cell and Molecular Biology, Faculty of Biological Sciences, Kharazmi University, Tehran, Iran. Electronic address: alijanian@khu.ac.ir.
Comput Biol Med ; 147: 105709, 2022 08.
Article in En | MEDLINE | ID: mdl-35728285

Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: SARS-CoV-2 / COVID-19 / COVID-19 Drug Treatment Type of study: Diagnostic_studies / Screening_studies Limits: Humans Language: En Journal: Comput Biol Med Year: 2022 Document type: Article Affiliation country: Country of publication:

Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: SARS-CoV-2 / COVID-19 / COVID-19 Drug Treatment Type of study: Diagnostic_studies / Screening_studies Limits: Humans Language: En Journal: Comput Biol Med Year: 2022 Document type: Article Affiliation country: Country of publication: