Structural insight into epothilones antitumor activity based on the conformational preferences and tubulin binding modes of epothilones A and B obtained from molecular dynamics simulations

2014 ◽  
Vol 33 (4) ◽  
pp. 789-803 ◽  
Author(s):  
Verónica A. Jiménez ◽  
Joel B. Alderete ◽  
Karen R. Navarrete
Keyword(s):  
Molecular Dynamics ◽  
Antitumor Activity ◽  
Molecular Dynamics Simulations ◽  
Binding Modes ◽  
Conformational Preferences ◽  
Tubulin Binding ◽  
Structural Insight ◽  
Dynamics Simulations ◽  
Insight Into

Structural insight into antisense gapmer-RNA oligomer duplexes through molecular dynamics simulations

2018 ◽  
Vol 37 (11) ◽  
pp. 2823-2836 ◽  
Author(s):  
Mallikarjunachari V. N. Uppuladinne ◽  
Uddhavesh B. Sonavane ◽  
Ramesh Ch. Deka ◽  
Rajendra R. Joshi
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Structural Insight ◽  
Dynamics Simulations ◽  
Insight Into

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.

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