Anion-π Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids. - Jill F. Ellenbarger; Inna V. Krieger; Hsiao-Ling Huang; Silvia Gómez-Coca; Thomas R. Ioerger; James C. Sacchettini; Steven E. Wheeler; Kim R. Dunbar (J. Chem. Inf. Model., 2018)

A Cartesian Encoding Graph Neural Network for Crystal Structures Property Prediction: Application to Thermal Ellipsoid Estimation. - Àlex Solé; Albert Mosella-Montoro; Joan Cardona; Silvia Gómez-Coca; Daniel Aravena; Eliseo Ruiz; Javier Ruiz Hidalgo (CoRR, 2025)