Please use this identifier to cite or link to this item: https://doi.org/10.1103/PhysRevLett.100.118301
Title: Molecular dynamics simulation of multivalent-ion mediated attraction between DNA molecules
Authors: Dai, L.
Mu, Y.
Nordenskiöld, L.
Van Der Maarel, J.R.C. 
Issue Date: 18-Mar-2008
Citation: Dai, L., Mu, Y., Nordenskiöld, L., Van Der Maarel, J.R.C. (2008-03-18). Molecular dynamics simulation of multivalent-ion mediated attraction between DNA molecules. Physical Review Letters 100 (11) : -. ScholarBank@NUS Repository. https://doi.org/10.1103/PhysRevLett.100.118301
Abstract: All atom molecular dynamics simulations with explicit water were done to study the interaction between two parallel double-stranded DNA molecules in the presence of the multivalent counterions putrescine (2+), spermidine (3+), spermine (4+) and cobalt hexamine (3+). The inter-DNA interaction potential is obtained with the umbrella sampling technique. The attractive force is rationalized in terms of the formation of ion bridges, i.e., multivalent ions which are simultaneously bound to the two opposing DNA molecules. The lifetime of the ion bridges is short on the order of a few nanoseconds. © 2008 The American Physical Society.
Source Title: Physical Review Letters
URI: http://scholarbank.nus.edu.sg/handle/10635/97244
ISSN: 00319007
DOI: 10.1103/PhysRevLett.100.118301
Appears in Collections:Staff Publications

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