Molecular simulations reveal that the long range fluctuations of human DPP III change upon ligand binding

2015 ◽  
Vol 11 (11) ◽  
pp. 3068-3080 ◽  
Author(s):  
A. Tomić ◽  
M. Berynskyy ◽  
R. C. Wade ◽  
S. Tomić
Keyword(s):  
Molecular Dynamics ◽  
Protein Structure ◽  
Molecular Dynamics Simulation ◽  
Ligand Binding ◽  
Long Range ◽  
Dynamics Simulation ◽  
Structure And Dynamics ◽  
Simulation Techniques ◽  
Conformational Landscape ◽  
Protein Structure And Dynamics

A range of molecular dynamics simulation techniques were applied to investigate the DPP III conformational landscape and the influence of ligand binding on the protein structure and dynamics.

scholarly journals Recent Developments in Using Molecular Dynamics Simulation Techniques to Study Biomolecules

2017 ◽  
Vol 33 (7) ◽  
pp. 1354-1365 ◽  
Author(s):  
Liao-Ran CAO ◽  
◽  
Chun-Yu ZHANG ◽  
Ding-Lin ZHANG ◽  
Hui-Ying CHU ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Simulation Techniques ◽  
Recent Developments
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