Publications

Automatic Determination of Stepsize Parameters in Monte Carlo Simulation Tested on a Bromodomain-Binding Octapeptide. J. R. Banfelder, J. A. Speidel and M. Mezei. Algorithms 2009, 2, 215-226 [PDF]

Automatic Control of Solvent Density in Grand Canonical Ensemble Monte Carlo Simulations. J. A. Speidel, J. R. Banfelder and M. Mezei. J. Chem. Theory Comput. 2006, 2, 1429-1434 [PDF]