Structural insights into human microsomal epoxide hydrolase by combined homology modeling, molecular dynamics simulations, and molecular docking calculations

2017 ◽  
Vol 85 (4) ◽  
pp. 720-730 ◽  
Author(s):  
Patricia Saenz-Méndez ◽  
Aline Katz ◽  
María Lucía Pérez-Kempner ◽  
Oscar N. Ventura ◽  
Marta Vázquez
Keyword(s):  
Molecular Dynamics ◽  
Molecular Docking ◽  
Homology Modeling ◽  
Molecular Dynamics Simulations ◽  
Epoxide Hydrolase ◽  
Microsomal Epoxide Hydrolase ◽  
Docking Calculations ◽  
Dynamics Simulations ◽  
Structural Insights

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

scholarly journals Development of a potent 2-oxoamide inhibitor of secreted phospholipase A2 guided by molecular docking calculations and molecular dynamics simulations

2016 ◽  
Vol 24 (8) ◽  
pp. 1683-1695 ◽  
Author(s):  
Sofia Vasilakaki ◽  
Efrosini Barbayianni ◽  
Georgios Leonis ◽  
Manthos G. Papadopoulos ◽  
Thomas Mavromoustakos ◽  
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Keyword(s):  
Molecular Dynamics ◽  
Molecular Docking ◽  
Phospholipase A2 ◽  
Molecular Dynamics Simulations ◽  
Secreted Phospholipase A2 ◽  
Docking Calculations ◽  
Dynamics Simulations
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