Docking-based CoMFA and CoMSIA studies of non-nucleoside reverse transcriptase inhibitors of the pyridinone derivative type. - José L. Medina-Franco; Sergio Rodríguez-Morales; Cecilia Juárez-Gordiano; Alicia Hernández-Campos; Rafael Castillo (J. Comput. Aided Mol. Des., 2004)

Quantitative Structure-activity Relationship Analysis of Pyridinone HIV-1 Reverse Transcriptase Inhibitors using the k Nearest Neighbor Method and QSAR-based Database Mining. - José L. Medina-Franco; Alexander Golbraikh; Scott Oloff; Rafael Castillo; Alexander Tropsha (J. Comput. Aided Mol. Des., 2005)

Structure-Based Optimization of Carbendazim-Derived Tubulin Polymerization Inhibitors through Alchemical Free Energy Calculations. - Lucia Cano-González; Johan D. Espinosa-Mendoza; Félix Matadamas-Martínez; Ariana Romero-Velásquez; Miguel Flores-Ramos; Luis Fernando Colorado-Pablo; Marco Antonio Cerbón-Cervantes; Rafael Castillo; Ignacio González-Sánchez; Lilián Yépez-Mulia; Alicia Hernández-Campos; Rodrigo Aguayo-Ortiz (J. Chem. Inf. Model., 2023)