scholarly journals Molecular mechanisms of resistance: Free energy calculations of mutation effects on inhibitor binding to HIV-1 protease

1998 ◽  
Vol 7 (8) ◽  
pp. 1750-1756 ◽  
Author(s):  
Steven W. Rick ◽  
Igor A. Topol ◽  
Stanley K. Burt ◽  
John W. Erickson
Keyword(s):  
Free Energy ◽  
Molecular Mechanisms ◽  
Free Energy Calculations ◽  
Mechanisms Of Resistance ◽  
Inhibitor Binding ◽  
Energy Calculations ◽  
Hiv 1

Binding Free Energy Calculations of Nine FDA-approved Protease Inhibitors Against HIV-1 Subtype C I36T↑T Containing 100 Amino Acids Per Monomer

2016 ◽  
Vol 87 (4) ◽  
pp. 487-498 ◽  
Author(s):  
Husain A. Lockhat ◽  
José R. A. Silva ◽  
Cláudio N. Alves ◽  
Thavendran Govender ◽  
Jerônimo Lameira ◽  
...  
Keyword(s):  
Amino Acids ◽  
Free Energy ◽  
Protease Inhibitors ◽  
Binding Free Energy ◽  
Free Energy Calculations ◽  
Subtype C ◽  
Energy Calculations ◽  
Binding Free Energy Calculations ◽  
Hiv 1

scholarly journals Atomistic Detailed Mechanism and Weak Cation-Conducting Activity of HIV-1 Vpu Revealed by Free Energy Calculations

PLoS ONE ◽  
2014 ◽  
Vol 9 (11) ◽  
pp. e112983 ◽  
Author(s):  
Siladitya Padhi ◽  
Raghunadha Reddy Burri ◽  
Shahid Jameel ◽  
U. Deva Priyakumar
Keyword(s):  
Free Energy ◽  
Free Energy Calculations ◽  
Detailed Mechanism ◽  
Energy Calculations ◽  
Hiv 1
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