Issue No. 05 - September/October (2007 vol. 9)
DOI Bookmark: http://doi.ieeecomputersociety.org/10.1109/MCSE.2007.108
Kourosh Malek , National Research Council of Canada
In addition to simulations of transport processes in protein crystals, this article highlights the importance of protein–solvent interactions. It's important, for example, to know whether the catalytic properties of proteins are the same in crystal and in solution.
computer simulation, water transport, protein crystals
K. Malek, "Transport in Protein Crystals, Part I: Insights from Molecular Simulations," in Computing in Science & Engineering, vol. 9, no. , pp. 90-95, 2007.