scholarly journals The maturation of HIV-1 protease precursor studied by discrete molecular dynamics

2013 ◽  
Vol 82 (4) ◽  
pp. 633-639 ◽  
Author(s):  
Sachie Kimura ◽  
Martina Caldarini ◽  
Ricardo A. Broglia ◽  
Nikolay V. Dokholyan ◽  
Guido Tiana
Keyword(s):  
Molecular Dynamics ◽  
Discrete Molecular Dynamics ◽  
Protease Precursor ◽  
Hiv 1

scholarly journals Identifying binding hot spots on protein surfaces by mixed-solvent molecular dynamics: HIV-1 protease as a test case

Biopolymers ◽  
2015 ◽  
Vol 105 (1) ◽  
pp. 21-34 ◽  
Author(s):  
Peter M. U. Ung ◽  
Phani Ghanakota ◽  
Sarah E. Graham ◽  
Katrina W. Lexa ◽  
Heather A. Carlson
Keyword(s):  
Molecular Dynamics ◽  
Hot Spots ◽  
Mixed Solvent ◽  
Test Case ◽  
Protein Surfaces ◽  
Hiv 1

scholarly journals Native-like RNA Tertiary Structures Using a Sequence-Encoded Cleavage Agent and Refinement by Discrete Molecular Dynamics

2009 ◽  
Vol 131 (7) ◽  
pp. 2541-2546 ◽  
Author(s):  
Costin M. Gherghe ◽  
Christopher W. Leonard ◽  
Feng Ding ◽  
Nikolay V. Dokholyan ◽  
Kevin M. Weeks
Keyword(s):  
Molecular Dynamics ◽  
Tertiary Structures ◽  
Discrete Molecular Dynamics

Ordered Water and Ligand Mobility in the HIV-1 Integrase-5CITEP Complex:  A Molecular Dynamics Study

2001 ◽  
Vol 44 (19) ◽  
pp. 3043-3047 ◽  
Author(s):  
Ni ◽  
Christoph A. Sotriffer ◽  
J. Andrew McCammon
Keyword(s):  
Molecular Dynamics ◽  
Ordered Water ◽  
Hiv 1

scholarly journals Activities, Crystal Structures, and Molecular Dynamics of Dihydro-1H-isoindole Derivatives, Inhibitors of HIV-1 Integrase

2012 ◽  
Vol 8 (1) ◽  
pp. 209-217 ◽  
Author(s):  
Mathieu Métifiot ◽  
Kasthuraiah Maddali ◽  
Barry C. Johnson ◽  
Stephen Hare ◽  
Steven J. Smith ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Crystal Structures ◽  
Hiv 1

scholarly journals Molecular Dynamics Simulations of the First Steps of the Reaction Catalyzed by HIV-1 Protease

2002 ◽  
Vol 83 (2) ◽  
pp. 794-807 ◽  
Author(s):  
Joanna Trylska ◽  
Piotr Bała ◽  
Maciej Geller ◽  
Paweł Grochowski
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations ◽  
Hiv 1
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