Comparison between self-guided Langevin dynamics and molecular dynamics simulations for structure refinement of protein loop conformations

2011 ◽  
Vol 32 (14) ◽  
pp. 3014-3022 ◽  
Author(s):  
Mark A. Olson ◽  
Sidhartha Chaudhury ◽  
Michael S. Lee
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Structure Refinement ◽  
Langevin Dynamics ◽  
Loop Conformations ◽  
Dynamics Simulations

scholarly journals CryoEM Structure Refinement by Integrating NMR Chemical Shifts with Molecular Dynamics Simulations

2017 ◽  
Vol 121 (15) ◽  
pp. 3853-3863 ◽  
Author(s):  
Juan R. Perilla ◽  
Gongpu Zhao ◽  
Manman Lu ◽  
Jiying Ning ◽  
Guangjin Hou ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Chemical Shifts ◽  
Structure Refinement ◽  
Nmr Chemical Shifts ◽  
Dynamics Simulations
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