Screening of bio-compatible metal–organic frameworks as potential drug carriers using Monte Carlo simulations

C. Bernini, María; Fairen‐Jiménez, David; Pasinetti, Marcelo; J. Ramírez-Pastor, A.; Q. Snurr, Randall

doi:10.1039/c3tb21328e

Public

Screening of bio-compatible metal–organic frameworks as potential drug carriers using Monte Carlo simulations

Published in Journal of Materials Chemistry B • Nov 25, 2013

Authors:

María C. Bernini

David Fairen‐Jiménez

Marcelo Pasinetti

Abstract

A series of bio-compatible metal-organic frameworks (MOFs) have been studied as potential carriers for drug delivery applications. Grand canonical Monte Carlo (GCMC) simulations were performed to study the adsorption of the model drug ibuprofen. Simulations were first validated with available experi...

Subject

Adsorption

Materials science

Drug delivery

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