Thats a unique idea.You should consider the following idea to enhance your idea so that it would impact uniquely: Long time scale molecular dynamics (MD) simulations of biological systems are becoming increasingly commonplace due to the availability of both large-scale computational resources and significant advances in the underlying simulation methodologies. Therefore, it is useful to investigate and develop data mining and analysis techniques to quickly and efficiently extract the biologically relevant information from the incredible amount of generated data. Wavelet analysis (WA) is a technique that can quickly reveal significant motions during an MD simulation. Here, the application of WA on ll-converged long time scale (tens of μs) simulations of a DNA helix is described.  show how WA combined with a simple clustering method can be used to identify both the physical and temporal locations of events with significant motion in MD trajectories.  also show that WA can not only distinguish and quantify the locations and time scales of significant motions, but by changing the maximum time scale of WA a more com...
['Zahra Heidari', 'Daniel R. Roe', 'Rodrigo Galindo-Murillo', 'Jahan B. Ghasemi', 'Thomas E. Cheatham']
I am writing a research paper on a idea Using Wavelet Analysis To Assist in Identification of Significant Events in Molecular Dynamics Simulations
[{"from": "human", "value": "I am writing a research paper on a idea Using Wavelet Analysis To Assist in Identification of Significant Events in Molecular Dynamics Simulations"}, {"from": "gpt", "value": "Thats a unique idea.You should consider the following idea to enhance your idea so that it would impact uniquely: Long time scale molecular dynamics (MD) simulations of biological systems are becoming increasingly commonplace due to the availability of both large-scale computational resources and significant advances in the underlying simulation methodologies. Therefore, it is useful to investigate and develop data mining and analysis techniques to quickly and efficiently extract the biologically relevant information from the incredible amount of generated data. Wavelet analysis (WA) is a technique that can quickly reveal significant motions during an MD simulation. Here, the application of WA on ll-converged long time scale (tens of \u03bcs) simulations of a DNA helix is described.  show how WA combined with a simple clustering method can be used to identify both the physical and temporal locations of events with significant motion in MD trajectories.  also show that WA can not only distinguish and quantify the locations and time scales of significant motions, but by changing the maximum time scale of WA a more com..."}]