@article{ISI:000343988500030,
 abstract = {We have performed fully atomistic classical molecular dynamics
simulations to calculate the effective interaction between two
polyamidoamine dendrimers. Using the umbrella sampling technique, we
have obtained the potential of mean force (PMF) between the dendrimers
and investigated the effects of protonation level and dendrimer size on
the PMF. Our results show that the interaction between the dendrimers
can be tuned from purely repulsive to partly attractive by changing the
protonation level. The PMF profiles are well-fitted by the sum of an
exponential and a Gaussian function with the weight of the exponential
function dominating over that of the Gaussian function. This observation
is in disagreement with the results obtained in previous analytic [C.
Likos, M. Schmidt, H. Lowen, M. Ballauff, D. Potschke, and P. Lindner,
Macromolecules 34, 2914 (2001)] and coarse-grained simulation [I.
Gotze, H. Harreis, and C. Likos, J. Chem. Phys. 120, 7761 (2004)]
studies which predicted the effective interaction to be Gaussian. (C)
2014 AIP Publishing LLC.},
 article-number = {144901},
 author = {Mandal, Taraknath and Dasgupta, Chandan and Maiti, Prabal K.},
 doi = {10.1063/1.4897160},
 eissn = {1089-7690},
 issn = {0021-9606},
 journal = {JOURNAL OF CHEMICAL PHYSICS},
 month = {OCT 14},
 number = {14},
 orcid-numbers = {Maiti, Prabal/0000-0002-9956-1136
Dasgupta, Chandan/0000-0002-0302-1881},
 researcherid-numbers = {Maiti, Prabal/B-6335-2009
},
 times-cited = {19},
 title = {Nature of the effective interaction between dendrimers},
 unique-id = {ISI:000343988500030},
 volume = {141},
 year = {2014}
}