The use of molecular modeling in Slovenia lags behind the developed world. The successful realization of the research program enables us to faster bridge of the gap between our current state and the state in the developed world, thus contributing to the modernization of research strategies and the research effectiveness in the stated fields. The presented studies represent a progression of many years of research being carried out at the National Institute of Chemistry. The outreach of our research program in the Slovenia is best represented by the Center for Molecular Modeling (CMM), in which the members of the program's group actively participate. The CMM supports and advances the computers and programs currently needed for molecular modeling for research in chemistry and related fields as well as industrial development. We fulfill the purpose of the CMM with our own research, method refinement, consulting, help to other researchers, and organizing seminars. The CMM cooperates with the Faculty of Mathematics and Physics, the Faculty of Chemistry, the Faculty of Pharmacy, the Biochemistry Institute of the Faculty of Medicine, the Jo/u017eef Stefan Institute, Lek, and Krka. We have much good experience and results with the research we have carried out in the course of the research program by developing and using molecular modeling methods. We have also developed and built several VRANA (translated to CROW, Columns and Rows of Workstations) parallel computers. These multicomputers are clusters of personal computers connected by fast networking technology. They could be classified in the Top 500 fastest computers and are one of the few "self-made", which places Slovenia among the best in the world in this field of technology.