Transport and surface interactions of proteins in nanopore membranes play a key role in many processes of biomedical importance. Although the use of porous materials provides a large surface-to-volume ratio, the efficiency of the operations is often determined by transport behavior, and this is complicated by the fact that transport paths (i.e., the pores) are frequently of molecular dimensions. Under these conditions, a protein diffusion can be slower than predicted from Fick law. The main contribution of this paper is the development of a mathematical model of this phenomenon, whose parameters are computed via molecular modeling, as described Part 1. Our multiscale modeling methodology, validated by using experimental results r...
AbstractThe diffusion of proteins in the cell membrane is investigated using computer simulations of...
Microelectromechanical systems (MEMS), a technology that resulted from significant innovation in sem...
Abstract. The progress of molecular manipulation technology has made it possible to conduct controll...
Transport and surface interactions of proteins in nanopore membranes play a key role in many proces...
We report in this account our efforts in the development of a novel multiscale simulation tool for ...
The molecular diffusion dynamics in unconstrained cases has been studied thoroughly during the last ...
Transport and surface interactions of proteins in nanopore membranes play a key role in many process...
We use Molecular Dynamics and Monte Carlo simulations to examine molecular transport phenomena in na...
AbstractWe use Molecular Dynamics and Monte Carlo simulations to examine molecular transport phenome...
We present an atomistic level computational investigation of the dynamics of a signaling protein, mo...
From macroscopic to microscopic scales it is demonstrated that diffusion through membranes can be mo...
The translocation process of a globular protein (ubiquitin) across a cylindrical nanopore is studied...
Abstract: Diffusion in natural, technological and biological systems is very common and most importa...
The translocation process of a globular protein (ubiquitin) across a cylindrical nanopore is studied...
A two-dimensional version of the generalized Smoluchowski equation is used to analyze the time (or d...
AbstractThe diffusion of proteins in the cell membrane is investigated using computer simulations of...
Microelectromechanical systems (MEMS), a technology that resulted from significant innovation in sem...
Abstract. The progress of molecular manipulation technology has made it possible to conduct controll...
Transport and surface interactions of proteins in nanopore membranes play a key role in many proces...
We report in this account our efforts in the development of a novel multiscale simulation tool for ...
The molecular diffusion dynamics in unconstrained cases has been studied thoroughly during the last ...
Transport and surface interactions of proteins in nanopore membranes play a key role in many process...
We use Molecular Dynamics and Monte Carlo simulations to examine molecular transport phenomena in na...
AbstractWe use Molecular Dynamics and Monte Carlo simulations to examine molecular transport phenome...
We present an atomistic level computational investigation of the dynamics of a signaling protein, mo...
From macroscopic to microscopic scales it is demonstrated that diffusion through membranes can be mo...
The translocation process of a globular protein (ubiquitin) across a cylindrical nanopore is studied...
Abstract: Diffusion in natural, technological and biological systems is very common and most importa...
The translocation process of a globular protein (ubiquitin) across a cylindrical nanopore is studied...
A two-dimensional version of the generalized Smoluchowski equation is used to analyze the time (or d...
AbstractThe diffusion of proteins in the cell membrane is investigated using computer simulations of...
Microelectromechanical systems (MEMS), a technology that resulted from significant innovation in sem...
Abstract. The progress of molecular manipulation technology has made it possible to conduct controll...