Computational simulations of asymmetric fluxes of large molecules through gap junction channel pores

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• 作者：Abhijit Mondal^a ; ^b ; ^{abhijit.mondal@utah.edu} ; Daniel A. Appadurai^c ; Nazem W. Akoum^d ; Frank B. Sachse^a ; ^b ; Alonso P. Moreno^a ; ^b ; ^{alonso.moreno@utah.edu}
• 关键词：Gap junctions ; Connexins ; Heterotypic ; Asymmetric flux ; Computational model ; Brownian dynamics simulation
• 刊名：Journal of Theoretical Biology
• 出版年：2017
• 出版时间：7 January 2017
• 年：2017
• 卷：412
• 期：Complete
• 页码：61-73
• 全文大小：1348 K
• 卷排序：412

文摘

A 3D computational model of a gap junction pore with Brownian particle dynamics has been developed. Particle fluxes have been studied in simple diffusion and forced concentration gradient conditions. The impact of pore shape on flux has been demonstrated using our computational model. Simulations and in vitro experiments indicate the importance of particle charge and transjunctional voltage for asymmetric fluxes in heterotypic gap junction pores.