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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

A computational framework for simulation of the delivery of substances into cells

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Author(s):
Campello, Eduardo M. B. [1, 2] ; Zohdi, Tarek I. [1]
Total Authors: 2
Affiliation:
[1] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 - USA
[2] Univ Sao Paulo, Dept Struct & Geotech Engn, Polytech Sch, BR-05424970 Sao Paulo - Brazil
Total Affiliations: 2
Document type: Journal article
Source: INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN BIOMEDICAL ENGINEERING; v. 30, n. 11, p. 1132-1152, NOV 2014.
Web of Science Citations: 12
Abstract

In this paper, we propose a simple computational framework for the rapid simulation of the delivery of substances into cells. Our approach treats the substances and the cell membrane as a collection of particles forming a discrete dynamical system, which is described by Newtonian equations in a purely mechanistic way. Detailed aspects about the modeling of particle interactions are discussed and resolved. The main advantage of such an approach is that it can offer a good qualitative picture of the delivery mechanism without the need to resort to detailed descriptions of the complex intermolecular interactions that are observed at small scales of the cell membrane. A numerical time integration scheme is formulated for solution of the system dynamics, and examples of simulations are provided. Computational particle-based models render reliable and fast simulation tools. We believe they can be very useful to help advance the design of delivery systems. Copyright (c) 2014 John Wiley \& Sons, Ltd. (AU)

FAPESP's process: 12/04009-0 - Multiscale formulations for the computational modeling of membranes
Grantee:Eduardo de Morais Barreto Campello
Support Opportunities: Scholarships abroad - Research