Effect of charge redistribution on the binding of DNA nucleotide to carbon nanotube in molecular dynamics
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DOI: 10.1080/08927022.2017.1279285
Abstract: Abstract All-atom molecular dynamics (MD) simulations are performed to study the binding of DNA nucleotides with two carbon nanotubes (CNTs) with similar diameters but different chiralities. Two schemes for assigning partial atomic charges (PACs) are… read more here.
Keywords: carbon; molecular dynamics; dna nucleotide; charge redistribution ... See more keywords