Spectroscopy and Modeling to Infer Channel Structure and Function
23 Mar 2008 | Online Presentations | Contributor(s): Vishwanath Jogini
We are particularly interested in issues about ion permeation, ion selectivity, gating, and channel inhibitors. We are currently working on the KcsA channel, the OmpF porin, and the gramicidin A> channel. We are also spending our efforts in the development of new computational approaches for studying biological macromolecular systems.
The computational approach called "molecular dynamics" (MD) is central to our work. It consists of constructing detailed atomic models of the macromolecular ...