CageCavityCalc (C3): A Computational Tool for Calculating and Visualizing Cavities in Molecular Cages - Martí-Centelles, Vicente; Piskorz, Tomasz K.; Duarte, Fernanda (Journal of chemical information and modeling, 2024)
Keywords: Algorithms; Cages; Computational Chemistry; Computer programming; Functionals; Holes; Models, Molecular; Molecular Conformation; Molecular structure; Porosity; Software; Visualization