DASH:  A Novel Analysis Method for Molecular Dynamics Simulation Data. Analysis of Ligands of PPAR-γ

2005 ◽  
Vol 48 (9) ◽  
pp. 3214-3220 ◽  
Author(s):  
David W. Salt ◽  
Brian D. Hudson ◽  
Lee Banting ◽  
Matthew J. Ellis ◽  
Martyn G. Ford
Keyword(s):  
Molecular Dynamics ◽  
Data Analysis ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Analysis Method ◽  
Simulation Data ◽  
Ppar Γ

scholarly journals Bringing Molecular Dynamics Simulation Data into View

2019 ◽  
Vol 44 (11) ◽  
pp. 902-913 ◽  
Author(s):  
Peter W. Hildebrand ◽  
Alexander S. Rose ◽  
Johanna K.S. Tiemann
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Simulation Data

scholarly journals Improving productivity while managing extensive molecular dynamics simulation data

2018 ◽  
Author(s):  
Avimanyu Bandyopadhyay
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Molecular Dynamics Simulations ◽  
Experimental Analysis ◽  
Dynamics Simulation ◽  
Limited Resources ◽  
Simulation Data ◽  
New Approach ◽  
Extensive Data ◽  
Dynamics Simulations

This paper discusses the difficulties experienced by bioinformaticians while working with extensive data generated from extended molecular dynamics simulations. For better experimental analysis, it often becomes crucial to conduct simulations up to extended periods of time. When with limited resources, running a complete simulation up to a desired length of time can become quite difficult to be performed at one go. So, a new approach is proposed to simplify handling such data for better productivity.

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