报告摘要：

  Understanding biomolecules and their interaction with solvent such as water is essential to revealing mechanisms and functions of biological systems. While atomistic simulations that treat both solvent and solute molecules explicitly are accurate, the recently developed implicit solvent models for biomolecules greatly reduce the degree of freedom in simulations.

In this talk, I will first introduce a class of variational implicit solvent models for biomolecules. I will then present my recent work, jointly with L.-T. Cheng, J. Dzubiella, and J. A. McCammon, on level-set calculations of equilibrium solvent-solute interface and free-energy for nonpolar solvation systems. Finally, I will introduce generalized Born models for the electrostatics calculations in implicit solvent models; and examine the validity of various formulas of generalized Born radii.

报告时间： 2006年8月3日(周四) 上午10:00--11:00

报告地点：科技综合楼三层311报告厅