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Dissociation of minor groove binders from DNA: insights from metadynamics simulations

We have used metadynamics to investigate the mechanism of noncovalent dissociation from DNA by two representatives of alkylating and noncovalent minor groove (MG) binders. The compounds are anthramycin in its anhydrous form (IMI) and distamycin A (DST), which differ in mode of binding, size, flexibi...

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Detalles Bibliográficos
Autores principales:	Vargiu, Attilio Vittorio, Ruggerone, Paolo, Magistrato, Alessandra, Carloni, Paolo
Formato:	Texto
Lenguaje:	English
Publicado:	Oxford University Press 2008
Materias:	Computational Biology
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2566863/ https://www.ncbi.nlm.nih.gov/pubmed/18801848 http://dx.doi.org/10.1093/nar/gkn561

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