报告题目：Variational Implicit-Solvent Model and Size-Modified
        Poisson-Boltzmann Theory for Charged Biomolecules

报告人：周圣高，加州大学圣地亚哥分校数学系、理论生物物理研究中心

时  间：2014年12月26日    下午16:00―17:00

地  点：管理科研楼    365英国上市官网1518室

内容提要：
Understanding charged biomolecules and their interactions with aqueous solvent and ions is essential to revealing mechanisms and functions of biological systems.  Implicit-solvent models are efficient descriptions of such interactions. This talk first presents the recent development of variational implicit-solvent models (VISM) for the solvation of charged biomolecules. Applications of the VISM to some realistic biologic systems are also discussed. Stability analysis is performed to understand the effect of geometry, electrostatics, and hydrodynamics on the equilibrium solute-solvent interface.  As a refinement on electrostatics, a size-modified Poisson--Boltzmann model is developed to consider non-uniform ionic size effects in ionic solutions.  Important phenomena, such as counterion saturation and stratification, are observed in numerical simulations. A key parameter is proposed to describe the competition between counterions.  Asymptotic analysis and Monte Carlo simulations are presented to confirm our conclusions.  This is a joint work with Bo Li, Hui Sun, Li-Tien Cheng, Zhenli Xu, Michael White, Joachim Dzubiella, J. Andrew McCammon, and many others.

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