Identification of the natural compound inhibitors against Plasmodium falciparum plasmepsin-II via common feature based screening and molecular dynamics simulations

2020 ◽  
pp. 1-13
Author(s):  
Anu Manhas ◽  
Sujeet Kumar ◽  
Prakash C. Jha
Keyword(s):  
Molecular Dynamics ◽  
Plasmodium Falciparum ◽  
Molecular Dynamics Simulations ◽  
Natural Compound ◽  
Feature Based ◽  
Plasmepsin Ii ◽  
Dynamics Simulations

Docking, QM/MM, and molecular dynamics simulations of the hexose transporter from Plasmodium falciparum (PfHT)

2016 ◽  
Vol 66 ◽  
pp. 174-186 ◽  
Author(s):  
Amanda Luisa da Fonseca ◽  
Renata Rachide Nunes ◽  
Vanildo Martins Lima Braga ◽  
Moacyr Comar Jr ◽  
Ricardo José Alves ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Plasmodium Falciparum ◽  
Molecular Dynamics Simulations ◽  
Hexose Transporter ◽  
Dynamics Simulations
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