Homology modeling and molecular dynamics simulations of Dengue virus NS2B/NS3 protease: insight into molecular interaction

2009 ◽  
pp. n/a-n/a ◽  
Author(s):  
Kanin Wichapong ◽  
Somsak Pianwanit ◽  
Wolfgang Sippl ◽  
Sirirat Kokpol
Keyword(s):  
Molecular Dynamics ◽  
Dengue Virus ◽  
Homology Modeling ◽  
Molecular Dynamics Simulations ◽  
Molecular Interaction ◽  
Dynamics Simulations ◽  
Ns3 Protease ◽  
Insight Into

scholarly journals Ligand Accessibility Insights to the Dengue virus NS3 Protease Assessed by long‐timescale Molecular Dynamics Simulations

ChemMedChem ◽  
2021 ◽  
Author(s):  
Thales Kronenberger ◽  
Mateus Sá Magalhães Serafim ◽  
Arun Kumar Tonduru ◽  
Vinícius Gonçalves Maltarollo ◽  
Antti Poso
Keyword(s):  
Molecular Dynamics ◽  
Dengue Virus ◽  
Molecular Dynamics Simulations ◽  
Dynamics Simulations ◽  
Ns3 Protease

Insight into the Inhibition of Human Choline Kinase: Homology Modeling and Molecular Dynamics Simulations

ChemMedChem ◽  
2006 ◽  
Vol 1 (11) ◽  
pp. 1216-1228 ◽  
Author(s):  
Lara Milanese ◽  
Antonio Espinosa ◽  
Joaquín M. Campos ◽  
Miguel A. Gallo ◽  
Antonio Entrena
Keyword(s):  
Molecular Dynamics ◽  
Homology Modeling ◽  
Molecular Dynamics Simulations ◽  
Choline Kinase ◽  
Dynamics Simulations ◽  
Insight Into ◽  
Kinase Homology

scholarly journals Insight into the origin of SARS-CoV-2 through structural analysis of receptor recognition: a molecular simulation study

RSC Advances ◽  
2021 ◽  
Vol 11 (15) ◽  
pp. 8718-8729
Author(s):  
Jixue Sun ◽  
Meijiang Liu ◽  
Na Yang
Keyword(s):  
Molecular Dynamics ◽  
Structural Analysis ◽  
Molecular Dynamics Simulations ◽  
Molecular Simulation ◽  
Simulation Study ◽  
Receptor Recognition ◽  
Dynamics Simulations ◽  
Insight Into

The origin of SARS-CoV-2 through structural analysis of receptor recognition was investigated by molecular dynamics simulations.

Atomistic Simulation of Volumetric Properties of Epoxy Networks: Effect of Monomer Length

Soft Matter ◽  
2021 ◽  
Author(s):  
Ketan S. Khare ◽  
Cameron F Abrams
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Atomistic Simulation ◽  
Volumetric Properties ◽  
Epoxy Networks ◽  
Design Requirements ◽  
Dynamics Simulations ◽  
Insight Into

Properties of epoxy thermosets can be varied broadly to suit design requirements by altering the chemistry of the component agents. Atomistically-detailed molecular dynamics simulations are well-suited for molecular insight into...

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