Communication

Nanoparticle Shape Improves Delivery: Rational Coarse Grain Molecular Dynamics (rCG-MD) of Taxol in Worm-Like PEG-PCL Micelles

  1. Sharon M. Loverde1,*,
  2. Michael L. Klein2,
  3. Dennis E. Discher1,*

Article first published online: 22 NOV 2011

DOI: 10.1002/adma.201103192

Additional Information

How to Cite

Loverde, S. M., Klein, M. L. and Discher, D. E. (2011), Nanoparticle Shape Improves Delivery: Rational Coarse Grain Molecular Dynamics (rCG-MD) of Taxol in Worm-Like PEG-PCL Micelles. Adv. Mater.. doi: 10.1002/adma.201103192

Author Information

  1. 1

    Chemical and Biomolecular Engineering, University of Pennsylvania, 129 Towne Building, 220 South 33rd St., University of Pennsylvania, Philadelphia, PA 19104, USA

  2. 2

    Department of Chemistry, Temple University, Beury Hall 130, 1901 N. 13th St., Philadelphia, PA 19122, USA

*Chemical and Biomolecular Engineering, University of Pennsylvania, 129 Towne Building, 220 South 33rd St., University of Pennsylvania, Philadelphia, PA 19104, USA.

Publication History

  1. Article first published online: 22 NOV 2011
  2. Manuscript Received: 19 AUG 2011

Funded by

  • NIH. Grant Number: NIH R01-EB007049, NSF DMR-0520020
  • NSF. Grant Number: TG-MCA93S020

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Keywords:

  • partition coefficient paclitaxel;
  • coarse grain molecular dynamics;
  • drug delivery;
  • thermodynamic integration
Thumbnail image of graphical abstract

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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