期刊
ADVANCED MATERIALS
卷 24, 期 28, 页码 3823-3830出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/adma.201103192
关键词
partition coefficient paclitaxel; coarse grain molecular dynamics; drug delivery; thermodynamic integration
类别
资金
- NIH NRSA
- NIH [NIH R01-EB007049, NSF DMR-0520020]
- NSF through National Institute for Computational Sciences (NICS) at the University of Tennessee [TG-MCA93S020]
- Direct For Mathematical & Physical Scien
- Division Of Materials Research [1120901] Funding Source: National Science Foundation
Nanoparticle shape can improve drug delivery based on the surprising effectiveness of flexible, worm-like nanocarriers (Worms) that increase the amount of drug delivered to tumors and shrink the tumors more effectively than spherical micelles (Spheres). Here, all-atom molecular dynamics (MD) simulations are used to build a rational coarse grain (rCG) model that helps clarify shape-dependent effects in delivery of the widely used anti-cancer drug Taxol by block copolymer micelles.
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