@article{ISI:000257366200063,
 abstract = {Using several hundred nanosecond long fully atomistic molecular dynamics
simulations, we investigate the monomer and counterion local
concentrations in poly amido amide (PAMAM) dendrimer systems for various
generations at neutral pH. We also calculate the zeta potential as a
function of dendrimer generation. It is found that the zeta potential
increases with dendrimer generation, but slowly at high generation. The
zeta potential behavior is remarkably well reproduced when employing
Monte Carlo simulations and the Poisson-Boltzmann theory for colloidal
particles with size and effective charge of the dendrimer as relevant
input parameters from the fully atomistic simulations.},
 author = {Maiti, Prabal K. and Messina, Rene},
 doi = {10.1021/ma7025435},
 issn = {0024-9297},
 journal = {MACROMOLECULES},
 month = {JUL 8},
 number = {13},
 orcid-numbers = {Maiti, Prabal/0000-0002-9956-1136},
 pages = {5002-5006},
 researcherid-numbers = {Maiti, Prabal/B-6335-2009},
 times-cited = {68},
 title = {Counterion distribution and zeta-potential in PAMAM dendrimer},
 unique-id = {ISI:000257366200063},
 volume = {41},
 year = {2008}
}