Date : 2011. 3. 17, 5:00 PM Place : Int"l conf. room, Bldg 25-1 -Abstract-   Over the last three decades, considerable efforts have been made to generalize and enhance the computational methodologies and techniques to model and simulate macromolecules of biological interest. In particular, molecular dynamics simulations have provided deeper insights into not only how they interact with the surrounding environment at the atomic level, but also the microscopic driving forces of their functions, especially when the simulations are combined with sophisticated free energy calculations. In this seminar, I would like to present the challenges of current molecular modeling and simulations in terms of their accessibility to general users including experimentalists, issues with the system size and time scale, and finally accuracy. Several case studies will be presented with some preliminary results in my research group to go possibly beyond the challenges.