Data related to the study of the interaction between vitamin D receptor and calcitriol using DFT and TD-DFT calculations

Official repository of study of calcitriol interaction with the vitamin D receptor using DFT and TD-DFT calculations, by Vanessa Regina Miranda, Nelson Henrique Morgon. The data, including all molecular structures, their results, and the scripts used in the study of the vitamin D receptor-calcitriol interaction by quantum mechanical methods, are provided.