Insights into amprenavir resistance in E35D HIV-1 protease mutation from molecular dynamics and binding free-energy calculations

2006 ◽  
Vol 13 (2) ◽  
pp. 297-304 ◽  
Author(s):  
Heike Meiselbach ◽  
Anselm H. C. Horn ◽  
Thomas Harrer ◽  
Heinrich Sticht
Keyword(s):  
Molecular Dynamics ◽  
Free Energy ◽  
Binding Free Energy ◽  
Free Energy Calculations ◽  
Energy Calculations ◽  
Binding Free Energy Calculations ◽  
Hiv 1

Anti-dengue virus activity of scytovirin and evaluation of point mutation effects by molecular dynamics and binding free energy calculations

2017 ◽  
Vol 490 (3) ◽  
pp. 1033-1038 ◽  
Author(s):  
Andrei Santos Siqueira ◽  
Alex Ranieri Jerônimo Lima ◽  
Rafael Conceição de Souza ◽  
Alberdan Silva Santos ◽  
João Lídio da Silva Gonçalves Vianez Júnior ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Free Energy ◽  
Dengue Virus ◽  
Point Mutation ◽  
Binding Free Energy ◽  
Free Energy Calculations ◽  
Energy Calculations ◽  
Virus Activity ◽  
Binding Free Energy Calculations

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
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