@article{ISI:000241856700016,
 abstract = {We study sequence-dependent complexation between oligonucleotides
(single-strand DNA) and various generation ethylene diamine (EDA) cored
poly amido amide (PAMAM) dendrimers through atomistic molecular dynamics
simulations accompanied by free energy calculations and inherent
structure determination. Simulations reveal formation of a stable
complex and provide a detailed molecular level understanding of the
structure and dynamics of such a complexation. The reaction free energy
surface in the initial stage is found to be funnel-like, with a
significant barrier arising in the late stage due to the occurrence of
misfolded states of DNA. Complexation shows surprisingly strong
sensitivity to the ssDNA sequence, which is found to arise from a
competition between enthalpic versus entropic rigidity of ssDNA.},
 author = {Maiti, Prabal K. and Bagchi, Biman},
 doi = {10.1021/nl061609m},
 issn = {1530-6984},
 journal = {NANO LETTERS},
 month = {NOV 8},
 number = {11},
 orcid-numbers = {Maiti, Prabal/0000-0002-9956-1136
BAGCHI, BIMAN/0000-0002-7146-5994},
 pages = {2478-2485},
 researcherid-numbers = {Maiti, Prabal/B-6335-2009
},
 times-cited = {122},
 title = {Structure and dynamics of DNA-dendrimer complexation: Role of
counterions, water, and base pair sequence},
 unique-id = {ISI:000241856700016},
 volume = {6},
 year = {2006}
}