Molecular Dynamics Simulations of the Aptamer Domain of Guanidinium Ion Binding Riboswitch ykkC-III: Structural Insights into the Discrimination of Cognate and Alternate Ligands

2021 ◽  
Author(s):  
Indu Negi ◽  
Amanpreet Singh Mahmi ◽  
Preethi Seelam Prabhakar ◽  
Purshotam Sharma
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Ion Binding ◽  
Dynamics Simulations ◽  
Aptamer Domain ◽  
Structural Insights

scholarly journals Quantum and All-Atom Molecular Dynamics Simulations of Protonation and Divalent Ion Binding to Phosphatidylinositol 4,5-Bisphosphate (PIP2)

2013 ◽  
Vol 104 (2) ◽  
pp. 79a
Author(s):  
David R. Slochower ◽  
Peter J. Huwe ◽  
Ryan Bradley ◽  
Ravi Radhakrishnan ◽  
Paul A. Janmey
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Ion Binding ◽  
Dynamics Simulations

Molecular Dynamics Simulations of Metal Ion Binding to the His-tag Motif

2005 ◽  
Vol 52 (6) ◽  
pp. 1281-1290 ◽  
Author(s):  
Chin-Wen Chen ◽  
Hsuan-Liang Liu ◽  
Jin-Chung Lin ◽  
Yih Ho
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Metal Ion ◽  
Ion Binding ◽  
Metal Ion Binding ◽  
His Tag ◽  
Dynamics Simulations

Structural insights into the binding mode of d-sorbitol with sorbitol dehydrogenase using QM-polarized ligand docking and molecular dynamics simulations

2016 ◽  
Vol 114 ◽  
pp. 244-256 ◽  
Author(s):  
Chandrabose Selvaraj ◽  
Gopinath Krishnasamy ◽  
Sujit Sadashiv Jagtap ◽  
Sanjay K.S. Patel ◽  
Saurabh Sudha Dhiman ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Binding Mode ◽  
Sorbitol Dehydrogenase ◽  
Ligand Docking ◽  
Dynamics Simulations ◽  
Structural Insights
Sign in / Sign up

Export Citation Format

Share Document