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Molecular dynamics recipes for genome research

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Abstract:

Molecular dynamics (MD) simulation allows one to predict the time evolution of a system of interacting particles. It is widely used in physics, chemistry and biology to address specific questions about the structural properties and dynamical mechanisms of model systems. MD earned a great success in genome research, as it proved to be beneficial in sorting pathogenic from neutral genomic mutations. Considering their computational requirements, simulations are commonly performed on HPC computing devices, which are generally expensive and hard to administer. However, variables like the software tool used for modeling and simulation or the size of the molecule under investigation might make one hardware type or configuration more advantageous than another or even make the commodity hardware definitely suitable for MD studies. This work aims to shed lights on this aspect.

Tópico:

Genomics and Phylogenetic Studies

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Citations: 28
28

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Información de la Fuente:

SCImago Journal & Country Rank
FuenteBriefings in Bioinformatics
Cuartil año de publicaciónNo disponible
Volumen19
Issue5
Páginas853 - 862
pISSN1467-5463
ISSNNo disponible

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