Rapid and Accurate Prediction of Binding Free Energies for Saquinavir-Bound HIV-1 Proteases

2008 ◽  
Vol 130 (8) ◽  
pp. 2639-2648 ◽  
Author(s):  
Ileana Stoica ◽  
S. Kashif Sadiq ◽  
Peter V. Coveney
Keyword(s):  
Accurate Prediction ◽  
Free Energies ◽  
Hiv 1 ◽  
Binding Free Energies

scholarly journals Computing Clinically Relevant Binding Free Energies of HIV-1 Protease Inhibitors

2014 ◽  
Vol 10 (3) ◽  
pp. 1228-1241 ◽  
Author(s):  
David W. Wright ◽  
Benjamin A. Hall ◽  
Owain A. Kenway ◽  
Shantenu Jha ◽  
Peter V. Coveney
Keyword(s):  
Protease Inhibitors ◽  
Free Energies ◽  
Hiv 1 ◽  
Binding Free Energies

Comparison of the Molecular Dynamics and Calculated Binding Free Energies for Nine FDA-Approved HIV-1 PR Drugs Against Subtype B and C-SA HIV PR

2012 ◽  
Vol 81 (2) ◽  
pp. 208-218 ◽  
Author(s):  
Shaimaa M. Ahmed ◽  
Hendrik G. Kruger ◽  
Thirumala Govender ◽  
Glenn E. M. Maguire ◽  
Yasien Sayed ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Free Energies ◽  
Subtype B ◽  
Hiv 1 ◽  
Binding Free Energies

Determination of the relative binding free energies of peptide inhibitors to the HIV-1 protease

1991 ◽  
Vol 34 (8) ◽  
pp. 2654-2659 ◽  
Author(s):  
David M. Ferguson ◽  
Randall J. Radmer ◽  
Peter A. Kollman
Keyword(s):  
Peptide Inhibitors ◽  
Free Energies ◽  
Relative Binding ◽  
Hiv 1 ◽  
Binding Free Energies
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