Computational multiscale modeling in protein--ligand docking

The term multiscale modeling usually refers to solving physical problems along multiple spatial or temporal scales. This definition can also be extended to include other nonorthogonal descriptive scales, to allow a hierarchical approach to accurate and efficient problem solving. Therefore, the scales proposed in this article are not the traditional scales currently used in life sciences. We deal with computational rather than experimental multi- scales, and we extend this language to describe the problem of protein-ligand docking.