Computational studies of transport in ion channels using metadynamics.

Molecular dynamics simulations have played a fundamental role in numerous fields of science by providing insights into the structure and dynamics of complex systems at the atomistic level. However, exhaustive sampling by standard molecular dynamics is in most cases computationally prohibitive, and t...

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Detalles Bibliográficos
Autores principales: Furini, S, Domene, C
Formato: Journal article
Lenguaje:English
Publicado: Elsevier 2016