We develop and employ innovative molecular modeling approaches to study the structure, dynamics, and function of complex molecular systems.
STOCK is a web-based toolkit for setting up coarse-grained molecular simulations. One can define molecular mapping from high to low resolution with the aid of a molecular visualizer. Additionally, one may generate effective potentials for coarse-grained simulations preserving structural properties of the underlying higher resolution model.
The tool is available at http://stock.cmm.ki.si
ENZO is a web tool for rapid evaluation of kinetic models of enzyme catalyzed reactions, available at enzo.cmm.ki.si. It automatically generates corresponding differential equations from a stipulated enzyme reaction scheme and fits their coefficients to experimentally observed time course curves.
The ENZO article was published in PLoS ONE.
CROW – Columns and Rows Of Workstations
Our lab develops and maintains a computer cluster CROW and workstations with software for computer simulations and modeling.