منابع مشابه
Interactive Molecular Dynamics: Scaling up to Large Systems
Combining molecular dynamics simulations with user interaction would have various applications in both education and research. By enabling interactivity the scientist will be able to visualize the experiment in real time and drive the simulation to a desired state more easily. However, interacting with systems of interesting size requires significant computing resources due to the complexity of...
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advanced technologies in molecular biology and modern experimental biophysics heavily rely not only on the knowledge of structure of essential proteins but also on their structural dynamics. the function of these bimolecular systems and the pathways along which the biological phenomena take place can be determined based on the knowledge of the molecular structure and behavior. as such, the simp...
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Essential dynamics (ED) is a useful method for analyzing trajectories generated by molecular dynamics (MD), but current tools are awkward to use, limiting the usefulness of the technique. This paper describes a new interactive graphical interface for visualization of ED results, including filtering a trajectory on an arbitrary set of eigenvectors and manipulation of a structure's projection alo...
متن کاملMolecular Dynamics Simulation of the Melting Process in Au15Ag40 Nanoalloys
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ژورنال
عنوان ژورنال: American Journal of Physics
سال: 2015
ISSN: 0002-9505,1943-2909
DOI: 10.1119/1.4901185