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

Autor(es)

Campello, Eduardo M. B. ^{[1, 2]} ; Zohdi, Tarek I. ^[1]

Afiliação do(s) autor(es)

^[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

• Tipo de documento: Artigo Científico
• Fonte: INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN BIOMEDICAL ENGINEERING; v. 30, n. 11, p. 1132-1152, NOV 2014.
• Citações Web of Science: 12

Resumo

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)

• Processo FAPESP: 12/04009-0 - Formulações multiescalas para a modelagem computacional de membranas
• Beneficiário: Eduardo de Morais Barreto Campello
• Modalidade de apoio: Bolsas no Exterior - Pesquisa