Thats a unique idea.You should consider the following idea to enhance your idea so that it would impact uniquely: Abstract#R##N#Molecular dynamics (MD) is a porful in silico method to investigate the interactions beten biomolecules. It solves Newton's equations of motion for atoms over a specified period of time and yields a trajectory file, containing the different spatial arrangements of atoms during the simulation. The movements and energies of each single atom are recorded. For evaluating of these simulation trajectories with regard to biomedical implications, several methods are available. Three ll-known ones are the root mean square deviation (RMSD), the root mean square fluctuation (RMSF) and solvent accessible surface area (SASA). Herein,  present a novel plug-in for the software “visual molecular dynamics” (VMD) that allows an interactive 3D representation of RMSD, RMSF, and SASA, directly on the molecule. On the one hand, our plug-in is easy to handle for inexperienced users, and on the other hand, it provides a fast and flexible graphical impression of the spatial dynamics of a system for experts in the field. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2010
['Bernhard Knapp', 'Nadja Lederer', 'Ulrich Omasits', 'Wolfgang Schreiner']
I am writing a research paper on a idea vmdICE: A plug‐in for rapid evaluation of molecular dynamics simulations using VMD
[{"from": "human", "value": "I am writing a research paper on a idea vmdICE: A plug\u2010in for rapid evaluation of molecular dynamics simulations using VMD"}, {"from": "gpt", "value": "Thats a unique idea.You should consider the following idea to enhance your idea so that it would impact uniquely: Abstract#R##N#Molecular dynamics (MD) is a porful in silico method to investigate the interactions beten biomolecules. It solves Newton's equations of motion for atoms over a specified period of time and yields a trajectory file, containing the different spatial arrangements of atoms during the simulation. The movements and energies of each single atom are recorded. For evaluating of these simulation trajectories with regard to biomedical implications, several methods are available. Three ll-known ones are the root mean square deviation (RMSD), the root mean square fluctuation (RMSF) and solvent accessible surface area (SASA). Herein,  present a novel plug-in for the software \u201cvisual molecular dynamics\u201d (VMD) that allows an interactive 3D representation of RMSD, RMSF, and SASA, directly on the molecule. On the one hand, our plug-in is easy to handle for inexperienced users, and on the other hand, it provides a fast and flexible graphical impression of the spatial dynamics of a system for experts in the field. \u00a9 2010 Wiley Periodicals, Inc. J Comput Chem, 2010"}]