Abstract
Drift-diffusion models are useful for studying ion transport in open protein channel systems over time scales that cannot be resolved practically by detailed molecular dynamics or quantum approaches. Water is treated as a uniform background medium with a specific dielectric constant and macroscopic current flow is resolved by assigning an appropriate mobility and diffusivity to each ionic species. The solution of Poisson's equation over the entire domain provides a simple way to include external boundary conditions and image force effects at dielectric discontinuities. Here we present a 3-D drift-diffusion model of ion (K+ and Cl−) permeation through the porin channel ompF, and its mutant G119D, implemented using the computational platform PROPHET.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
