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Cafiero, Mauricio and Harle, Joshua (2023): Dataset for an ab initio study of the selectivity of dopamine and other ligands for various dopamine-related enzymes. University of Reading. Dataset. https://doi.org/10.17864/1947.000459

Cafiero, Mauricio and Harle, Joshua (2023): Dataset supporting the article 'Evaluation of empirical-dispersion-corrected, range-separated, double hybrid, and Meta-GGA density functional theory methods for interactions important in catecholic ligand/protein binding'. University of Reading. Dataset. https://doi.org/10.17864/1947.000484

Cafiero, Mauricio and Schulze, Charlotte (2023): Dataset supporting the article 'Pairwise additivity and three-body contributions for Density Functional Theory-based protein-ligand binding energies'. University of Reading. Dataset. https://doi.org/10.17864/1947.000511