Ligand-Steered Modeling and Docking: A Benchmarking Study in Class A G-Protein-Coupled Receptors. - Sharangdhar S. Phatak; Edgar A. Gatica; Claudio N. Cavasotto (J. Chem. Inf. Model., 2010)

Computational and experimental studies of the interaction between phospho-peptides and the C-terminal domain of BRCA1. - Victor M. Anisimov; Arturas Ziemys; Smitha Kizhake; Ziyan Yuan; Amarnath Natarajan; Claudio N. Cavasotto (J. Comput. Aided Mol. Des., 2011)

Quantum mechanical binding free energy calculation for phosphopeptide inhibitors of the Lck SH2 domain. - Victor M. Anisimov; Claudio N. Cavasotto (J. Comput. Chem., 2011)

Ligand and Decoy Sets for Docking to G Protein-Coupled Receptors. - Edgar A. Gatica; Claudio N. Cavasotto (J. Chem. Inf. Model., 2012)

Flexi-pharma: a molecule-ranking strategy for virtual screening using pharmacophores from ligand-free conformational ensembles. - Isaias Lans; Karen Palacio-Rodríguez; Claudio N. Cavasotto; Pilar Cossio (J. Comput. Aided Mol. Des., 2020)

The Impact of Supervised Learning Methods in Ultralarge High-Throughput Docking. - Claudio N. Cavasotto; Juan I. Di Filippo (J. Chem. Inf. Model., 2023)