scholarly journals Structure of the 30 kDa HIV-1 RNA Dimerization Signal by a Hybrid Cryo-EM, NMR, and Molecular Dynamics Approach

Structure ◽  
2018 ◽  
Vol 26 (3) ◽  
pp. 490-498.e3 ◽  
Author(s):  
Kaiming Zhang ◽  
Sarah C. Keane ◽  
Zhaoming Su ◽  
Rossitza N. Irobalieva ◽  
Muyuan Chen ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Rna Dimerization ◽  
Hiv 1

Conformational transitions of flanking purines in HIV-1 RNA dimerization initiation site kissing complexes studied by CHARMM explicit solvent molecular dynamics

Biopolymers ◽  
2008 ◽  
Vol 89 (9) ◽  
pp. 732-746 ◽  
Author(s):  
Joanna Sarzyńska ◽  
Kamila Réblová ◽  
Jiří Šponer ◽  
Tadeusz Kuliński
Keyword(s):  
Molecular Dynamics ◽  
Conformational Transitions ◽  
Initiation Site ◽  
Rna Dimerization ◽  
Explicit Solvent ◽  
Hiv 1 ◽  
Dimerization Initiation Site

Molecular Docking and Molecular Dynamics Simulation Based Approach to Explore the Dual Inhibitor Against HIV-1 Reverse Transcriptase and Integrase

2017 ◽  
Vol 20 (8) ◽  
Author(s):  
Subhash Chander ◽  
Rajan Kumar Pandey ◽  
Ashok Penta ◽  
Bhanwar Singh Choudhary ◽  
Manish Sharma ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Docking ◽  
Molecular Dynamics Simulation ◽  
Reverse Transcriptase ◽  
Dynamics Simulation ◽  
Dual Inhibitor ◽  
Simulation Based ◽  
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

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

scholarly journals Looking at HIV-1 RNA Dimerization Initiation

2006 ◽  
Vol 281 (23) ◽  
pp. e99918
Keyword(s):  
Rna Dimerization ◽  
Hiv 1
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