scholarly journals Identification of potential inhibitors of SARS-CoV-2 main protease and spike receptor from 10 important spices through structure-based virtual screening and molecular dynamic study

2020 ◽  
pp. 1-22
Author(s):  
Debanjan Sen ◽  
Pradip Debnath ◽  
Bimal Debnath ◽  
Samhita Bhaumik ◽  
Sudhan Debnath
Keyword(s):  
Virtual Screening ◽  
Molecular Dynamic ◽  
Dynamic Study ◽  
Molecular Dynamic Study ◽  
Main Protease ◽  
Potential Inhibitors

scholarly journals Identification of 1,2,3-triazole-phthalimide derivatives as potential drugs against COVID-19: a virtual screening, docking and molecular dynamic study

2021 ◽  
pp. 1-19
Author(s):  
Vanderlan Nogueira Holanda ◽  
Elton Marlon de Araújo Lima ◽  
Welson Vicente da Silva ◽  
Rafael Trindade Maia ◽  
Rafael de Lima Medeiros ◽  
...  
Keyword(s):  
Virtual Screening ◽  
Molecular Dynamic ◽  
Dynamic Study ◽  
Molecular Dynamic Study

scholarly journals SARS-CoV-2 Main Protease: A Molecular Dynamic Study

2020 ◽  
Author(s):  
Dimas Suárez ◽  
Natalia Díaz
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Molecular Dynamic ◽  
Dynamic Study ◽  
Dynamics Simulation ◽  
Native Enzyme ◽  
Peptide Substrate ◽  
Molecular Dynamic Study ◽  
Main Protease

We provide results from a molecular dynamics simulation of the SARS-CoV-2 main protease in the monomer and dimer states of the native enzyme and also bound to a peptide substrate.<br>

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