CG2AA: backmapping protein coarse-grained structures. - Leandro E. Lombardi; Marcelo A. Marti; Luciana Capece (Bioinform., 2016)

Thermal Stability of Globins: Implications of Flexibility and Heme Coordination Studied by Molecular Dynamics Simulations. - Laia Julió Plana; Alejandro D. Nadra; Dario A. Estrin; F. Javier Luque; Luciana Capece (J. Chem. Inf. Model., 2019)

Best Practices on QM/MM Simulations of Biological Systems. - Camila M. Clemente; Luciana Capece; Marcelo A. Marti (J. Chem. Inf. Model., 2023)

Computational Chemistry in the Global South: A Latin American Perspective. - Sergio Pantano; Luciana Capece; Laura Gagliardi; Kenneth M. Merz Jr.; Victor S. Batista; Thereza A. Soares (J. Chem. Inf. Model., 2025)