Identification of novel Plasmodium falciparum PI4KB inhibitors as potential anti-malarial drugs: Homology modeling, molecular docking and molecular dynamics simulations

2019 ◽  
Vol 80 ◽  
pp. 79-89 ◽  
Author(s):  
Mahmoud A.A. Ibrahim ◽  
Alaa H.M. Abdelrahman ◽  
Alaa M.A. Hassan
Keyword(s):  
Molecular Dynamics ◽  
Plasmodium Falciparum ◽  
Molecular Docking ◽  
Homology Modeling ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations

Homology modeling of dihydrofolate reductase from T. gondii bonded to antagonists: molecular docking and molecular dynamics simulations

2013 ◽  
Vol 9 (6) ◽  
pp. 1308 ◽  
Author(s):  
Débora Pacheco Homem ◽  
Rogério Flores ◽  
Priscilla Tosqui ◽  
Thiago de Castro Rozada ◽  
Ernani Abicht Basso ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Docking ◽  
Homology Modeling ◽  
Molecular Dynamics Simulations ◽  
Dihydrofolate Reductase ◽  
Dynamics Simulations

Promising inhibitors of nsp2 of CHIKV using molecular docking and temperature-dependent molecular dynamics simulations

2021 ◽  
pp. 1-9
Author(s):  
Mahendera Kumar Meena ◽  
Durgesh Kumar ◽  
Kamlesh Kumari ◽  
Nagendra Kumar Kaushik ◽  
Rammapa Venkatesh Kumar ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Docking ◽  
Molecular Dynamics Simulations ◽  
Temperature Dependent ◽  
Dynamics Simulations
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