Insight into the binding modes of Lassa nucleoprotein complexed with ssRNA by molecular dynamic simulations and free energy calculations

2014 ◽  
Vol 33 (5) ◽  
pp. 946-960 ◽  
Author(s):  
Ying Zhang ◽  
Hang Chen ◽  
Ju-Guang Han
Keyword(s):  
Free Energy ◽  
Molecular Dynamic ◽  
Free Energy Calculations ◽  
Molecular Dynamic Simulations ◽  
Binding Modes ◽  
Dynamic Simulations ◽  
Energy Calculations ◽  
Insight Into

scholarly journals Unveiling the helicity switching mechanism of a rigid two-tiered stacked architecture

RSC Advances ◽  
2019 ◽  
Vol 9 (3) ◽  
pp. 1501-1508
Author(s):  
Peng Liu ◽  
Yafei Duan ◽  
Xihui Bian ◽  
Xiaoyao Tan
Keyword(s):  
Free Energy ◽  
Molecular Dynamic ◽  
Atomic Level ◽  
Free Energy Calculations ◽  
Switching Process ◽  
Molecular Dynamic Simulations ◽  
Conformational Switching ◽  
Dynamic Simulations ◽  
Energy Calculations ◽  
Switching Mechanism

The conformational switching process of a rigid two-tiered stacked architecture has been revealed at the atomic level with the aid of molecular dynamic simulations and free-energy calculations.

Exploring the mechanism of how tvMyb2 recognizes and binds ap65-1 by molecular dynamics simulations and free energy calculations

2016 ◽  
Vol 12 (1) ◽  
pp. 76-84 ◽  
Author(s):  
Wei-Kang Li ◽  
Qing-Chuan Zheng ◽  
Hong-Xing Zhang
Keyword(s):  
Molecular Dynamics ◽  
Free Energy ◽  
Molecular Dynamics Simulations ◽  
Molecular Dynamic ◽  
Free Energy Calculations ◽  
Molecular Dynamic Simulations ◽  
Dynamic Simulations ◽  
Energy Calculations ◽  
Dynamics Simulations

Molecular dynamic simulations and MMPBSA calculations of tvMyb2-ap65-1 complex and its mutants, our work give important information to understand the interactions between tvMyb2-ap65-1.

scholarly journals Insight into the Binding of DFG-out Allosteric Inhibitors to B-Raf Kinase Using Molecular Dynamics and Free Energy Calculations

2015 ◽  
Vol 11 (2) ◽  
pp. 124-136 ◽  
Author(s):  
Luis Coronel ◽  
Jose Granadino-Roldán ◽  
Marta Pinto ◽  
Maria Tomas ◽  
Maria Pujol ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Free Energy ◽  
Free Energy Calculations ◽  
Allosteric Inhibitors ◽  
Energy Calculations ◽  
Raf Kinase ◽  
Insight Into
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