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Nanoparticle Shape Improves Delivery: Rational Coarse Grain Molecular Dynamics (rCG‐MD) of Taxol in Worm‐Like PEG‐PCL Micelles
Author(s) -
Loverde Sharon M.,
Klein Michael L.,
Discher Dennis E.
Publication year - 2012
Publication title -
advanced materials
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 10.707
H-Index - 527
eISSN - 1521-4095
pISSN - 0935-9648
DOI - 10.1002/adma.201103192
Subject(s) - nanocarriers , rational design , micelle , drug delivery , molecular dynamics , materials science , nanotechnology , nanoparticle , peg ratio , dynamics (music) , computer science , chemistry , physics , organic chemistry , computational chemistry , finance , aqueous solution , acoustics , economics
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.