scholarly journals 3D-QSAR studies of triazolopyrimidine derivatives of Plasmodium falciparum dihydroorotate dehydrogenase inhibitors using a combination of molecular dynamics, docking, and genetic algorithm-based methods

2012 ◽  
Vol 5 (3) ◽  
pp. 91-103 ◽  
Author(s):  
Priyanka Shah ◽  
Sumit Kumar ◽  
Sunita Tiwari ◽  
Mohammad Imran Siddiqi
Keyword(s):  
Genetic Algorithm ◽  
Molecular Dynamics ◽  
Plasmodium Falciparum ◽  
3D Qsar ◽  
Dihydroorotate Dehydrogenase ◽  
Qsar Studies ◽  
Derivatives Of

Molecular description of α‐keto‐based inhibitors of cruzain with activity against Chagas disease combining 3D‐QSAR studies and molecular dynamics

2018 ◽  
Vol 92 (2) ◽  
pp. 1475-1487 ◽  
Author(s):  
Ádria P. B. Saraiva ◽  
Ricardo M. Miranda ◽  
Renan P. P. Valente ◽  
Jéssica O. Araújo ◽  
Rutelene N. B. Souza ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Chagas Disease ◽  
3D Qsar ◽  
Qsar Studies ◽  
Molecular Description
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