Ontology highlight
ABSTRACT:
SUBMITTER: Kelly CV
PROVIDER: S-EPMC2925445 | biostudies-literature | 2008 Aug
REPOSITORIES: biostudies-literature
Kelly Christopher V CV Leroueil Pascale R PR Nett Elizabeth K EK Wereszczynski Jeffery M JM Baker James R JR Orr Bradford G BG Banaszak Holl Mark M MM Andricioaei Ioan I
The journal of physical chemistry. B 20080712 31
Third-generation (G3) poly(amidoamine) (PAMAM) dendrimers are simulated approaching 1,2-dimyristoyl- sn-glycero-3-phosphocholine (DMPC) bilayers with fully atomistic molecular dynamics, which enables the calculation of a free energy profile along the approach coordinate. Three different dendrimer terminations are examined: protonated primary amine, uncharged acetamide, and deprotonated carboxylic acid. As the dendrimer and lipids become closer, their attractive force increases (up to 240 pN) and ...[more]