Influence of Protonation on Substrate and Inhibitor Interactions at the Active Site of Human Monoamine Oxidase-A. - Gerald Zapata-Torres; Angelica Fierro; Sebastian Miranda-Rojas; Carlos Guajardo; Patricio Saez-Briones; J. Cristian Salgado; Cristian Celis-Barros (J. Chem. Inf. Model., 2012)

Molecular dynamics simulation of halogen bonding mimics experimental data for cathepsin L inhibition. - Cristian Celis-Barros; Leslie Saavedra-Rivas; J. Cristian Salgado; Bruce K. Cassels; Gerald Zapata-Torres (J. Comput. Aided Mol. Des., 2015)

Revealing Monoamine Oxidase B Catalytic Mechanisms by Means of the Quantum Chemical Cluster Approach. - Gerald Zapata-Torres; Angelica Fierro; German Barriga-González; J. Cristian Salgado; Cristian Celis-Barros (J. Chem. Inf. Model., 2015)

5-HT2 Receptor Subfamily and the Halogen Bond Promise. - Angelica Fierro; Douglas J. Matthies; Bruce K. Cassels; Pablo Jaque; Gerald Zapata-Torres (J. Chem. Inf. Model., 2021)

Enhancing the Affinity of a Novel Selective scFv for Soluble ST2 through Computational Design. - Douglas J. Matthies; Pedro Novoa-Gundel; Gonzalo Vásquez; Karen Dubois-Camacho; Marjorie De la fuente López; Bárbara Donoso; Karen Toledo-Stuardo; Matías Gutiérrez-González; Glauben Landskron; Silvana Valdebenito-Silva; Oliberto Sánchez; Angelica Fierro; et al. (J. Chem. Inf. Model., 2025)