Lead Hopping for Pf DHODH Inhibitors as Antimalarials Based on Pharmacophore Mapping, Molecular Docking and Comparative Binding Energy Analysis (COMBINE): A Three-Layered Virtual Screening Approach

2012 ◽  
Vol 31 (10) ◽  
pp. 711-718 ◽  
Author(s):  
Probir Kumar Ojha ◽  
Indrani Mitra ◽  
Supratik Kar ◽  
Rudra Narayan Das ◽  
Kunal Roy
Keyword(s):  
Molecular Docking ◽  
Binding Energy ◽  
Virtual Screening ◽  
Energy Analysis ◽  
Pharmacophore Mapping ◽  
Screening Approach ◽  
Comparative Binding ◽  
Binding Energy Analysis ◽  
Virtual Screening Approach

Prediction of Drug Binding Affinities by Comparative Binding Energy Analysis

1995 ◽  
Vol 38 (14) ◽  
pp. 2681-2691 ◽  
Author(s):  
Angel R. Ortiz ◽  
M. Teresa Pisabarro ◽  
Federico Gago ◽  
Rebecca C. Wade
Keyword(s):  
Binding Energy ◽  
Energy Analysis ◽  
Drug Binding ◽  
Binding Affinities ◽  
Comparative Binding ◽  
Binding Energy Analysis

Comparative binding energy analysis for binding affinity and target selectivity prediction

2009 ◽  
Vol 78 (1) ◽  
pp. 135-153 ◽  
Author(s):  
Stefan Henrich ◽  
Isabella Feierberg ◽  
Ting Wang ◽  
Niklas Blomberg ◽  
Rebecca C. Wade
Keyword(s):  
Binding Energy ◽  
Binding Affinity ◽  
Energy Analysis ◽  
Comparative Binding ◽  
Binding Energy Analysis
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