3D QSAR studies on binding affinities of coumarin natural products for glycosomal GAPDH of Trypanosoma cruzi. - Irwin Rose de Alencar Menezes; Julio Cesar Dias Lopes; Carlos Alberto Montanari; Glaucius Oliva; Fernando Pavão; Marcelo Santos Castilho; Paulo C. Vieira; Mônica Tallarico Pupo (J. Comput. Aided Mol. Des., 2003)

Discovery of New Inhibitors of Schistosoma mansoni PNP by Pharmacophore-Based Virtual Screening. - Matheus P. Postigo; Rafael V. C. Guido; Glaucius Oliva; Marcelo Santos Castilho; Ivan da R. Pitta; Julianna F. C. de Albuquerque; Adriano D. Andricopulo (J. Chem. Inf. Model., 2010)

Benchmark Sets for Binding Hot Spot Identification in Fragment-Based Ligand Discovery. - Amanda E. Wakefield; Christine Yueh; Dmitri Beglov; Marcelo Santos Castilho; Dima Kozakov; György M. Keserü; Adrian Whitty; Sandor Vajda (J. Chem. Inf. Model., 2020)

Druggable hot spots in trypanothione reductase: novel insights and opportunities for drug discovery revealed by DRUGpy. - Olivia Teixeira; Pedro Sousa Lacerda; Thamires Quadros Froes; Maria Cristina Nonato; Marcelo Santos Castilho (J. Comput. Aided Mol. Des., 2021)