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Charge-density distribution of API in crystals and ligand–receptor complexes

Analysis of charge density distribution is a powerful method to recover information about non-covalent interactions in crystals and such important physical quantities as lattice energies. These quantities allow evaluation of the mutual stability of polymorphs and comparison of the strength of supramolecular associates in solids that is valuable for crystal engineering. Moreover, in the case of compounds that serve as active pharmaceutical ingredients (API) the energies of individual intermolecular interactions and lattice energies can be associated with the energies of ligand-receptor binding.