van der Straaten T. – TechConnect Briefs

Application of Grid Focusing Methodology to Transport Monte Carlo Model for Ion Channel Simulations

Kathawala G.A., van der Straaten T., Ravaioli U., University of Illinois at Urbana-Champaign, US

Simulation of Ion Channels has long been an outstanding research problem in the biophysical community. Our transport Monte Carlo model BioMOCA is a particle based approach where we treat water implicitly. It has been used [...]

Combining Computational Chemistry and Computational Electronics to Understand Protein Ion Channels

van der Straaten T., Varma S., Chiu S-W, Tang J., Aluru N.R., Eisenberg R.S., Ravaioli U., Jakobsson E., University of Illinois, US

Nanoscale computational engineering can be achieved by combining atomic and molecular scale methods of computational chemistry with coarser-grained continuum theories used in computational electronics. Each computational discipline is quite different; yet both must give the [...]