The Royal Swedish Academy of Sciences have awarded 2013 chemistry Nobel prize to Martin Karplus, Michael Levitt and Arieh Warshel for the development of multi-scale models of complex chemical systems. These models paved the way for realistic computers simulations of the structure and function of biomacromolecules, and structure-based drug design. Here we outline pioneering computational approaches that were developed by these Nobel laureates from 1968 to 1978., Jan Florián., and Obsahuje bibliografii