Web interface for Brownian dynamics simulation of ion transport and its applications to beta-barrel pores.
作者： Kyu Il Lee , Sunhwan Jo , Huan Rui , Bernhard Egwolf , Benoît Roux
DOI: 10.1002/JCC.21952
关键词: Brownian dynamics 、 Molecular dynamics 、 Analytical chemistry 、 Chemistry 、 Ion 、 Diffusion (business) 、 Membrane potential 、 Ion transporter 、 Potential of mean force 、 Scaling 、 Thermodynamics
摘要: … Brownian dynamics (BD) based on accurate potential of mean force is an efficient and accurate method for simulating ion transport through wide ion channels. Here, a web-based …
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