Online Workshop on

Computational Biophysics
 

Computer Simulation of Biological and Artificial Membrane Channels.

Modeling and simulation of molecular systems has become an inseparable component of modern research. In particular, molecular dynamics simulation is increasingly used to investigate the molecular mechanism of function and structure-function relationship of a wide range of biological macromolecules. The course will present a brief introduction to such methodologies, and uses membrane channels as an example of how theoretical biophysical methods and computer simulation technology can be applied to biological problems. The examples used in the class are aquaporin water channels as an example for biologically relevant materials, as well as carbon nanotubes as artificial materials. Modeling, simulation setup, and analysis of the results will be demonstrated along with the lessons learnt from simulation studies of these systems. The lectures are accompanied by a hands-on tutorial in which the students can set up and run small simulations on their own.

The workshop is designed for graduate students and postdoctoral researchers in computational and/or biophysical fields. Working familiarity with the VMD and NAMD software used in the workshop is assumed. Streaming video of a recorded lecture, tutorial self-study, and phone contact with the instructor are used to deliver course content. Enrollment is limited to ten participants.