Theoretical models for the conformations and the protonation of triacetonamine. - C. Ch. Navajas; Luis A. Montero; B. Serna (J. Comput. Aided Mol. Des., 1990)

Bonding contribution to restricted internal rotations in saccharides. - Jorge Llano; Luis A. Montero (J. Comput. Chem., 1996)

OH hydrogen abstraction reactions from alanine and glycine: A quantum mechanical approach. - Annia Galano; J. Raúl Alvarez-Idaboy; Luis A. Montero; Annik Vivier Bunge (J. Comput. Chem., 2001)

Theoretical model of internal rotation in monosubstituted derivatives of furfural. - Rachel Crespo-Otero; Luis A. Montero; Giselle Rosquete; J. Alexander Padrón-García; Raúl H. González-Jonte (J. Comput. Chem., 2004)

Computational Biology in Cuba: An Opportunity to Promote Science in a Developing Country. - Tirso Pons; Luis A. Montero; Juan P. Febles (PLoS Comput. Biol., 2007)

Applying pattern recognition methods plus quantum and physico-chemical molecular descriptors to analyze the anabolic activity of structurally diverse steroids. - Yoanna María Alvarez-Ginarte; Yovani Marrero-Ponce; José Alberto Ruiz-García; Luis Alberto Montero-Cabrera; José Manuel García de la Vega; Pedro Noheda Marin; Rachel Crespo-Otero; Francisco Torrens Zaragoza; Ramón García-Domenech (J. Comput. Chem., 2008)

Electron density deformations provide new insights into the spectral shift of rhodopsins. - Erix Wiliam Hernández-Rodríguez; Ana Lilian Montero-Alejo; Rafael López; Elsa Sánchez-García; Luis Alberto Montero-Cabrera; José Manuel García de la Vega (J. Comput. Chem., 2013)

Theoretical Evaluation of the Molecular Inclusion Process between Chlordecone and Cyclodextrins: A New Method for Mitigating the Basis Set Superposition Error in the Case of an Implicit Solvation Model. - Juan José Gamboa-Carballo; Anthuan Ferino-Pérez; Vijay Kumar Rana; Joëlle Levalois-Grützmacher; Sarra Gaspard; Luis Alberto Montero-Cabrera; Ulises Javier Jáuregui-Haza (J. Chem. Inf. Model., 2020)

BitClust: Fast Geometrical Clustering of Long Molecular Dynamics Simulations. - Roy González-Alemán; David Hernández-Castillo; Alejandro Rodríguez-Serradet; Julio Caballero; Erix Wiliam Hernández-Rodríguez; Luis Alberto Montero-Cabrera (J. Chem. Inf. Model., 2020)

Quality Threshold Clustering of Molecular Dynamics: A Word of Caution. - Roy González-Alemán; David Hernández-Castillo; Julio Caballero; Luis Alberto Montero-Cabrera (J. Chem. Inf. Model., 2020)

BitQT: a graph-based approach to the quality threshold clustering of molecular dynamics. - Roy González-Alemán; Daniel Platero-Rochart; David Hernández-Castillo; Erix Wiliam Hernández-Rodríguez; Julio Caballero; Fabrice Leclerc; Luis Alberto Montero-Cabrera (Bioinform., 2021)

RCDPeaks: memory-efficient density peaks clustering of long molecular dynamics. - Daniel Platero-Rochart; Roy González-Alemán; Erix Wiliam Hernández-Rodríguez; Fabrice Leclerc; Julio Caballero; Luis Alberto Montero-Cabrera (Bioinform., 2022)

MDSCAN: RMSD-based HDBSCAN clustering of long molecular dynamics. - Roy González-Alemán; Daniel Platero-Rochart; Alejandro Rodríguez-Serradet; Erix Wiliam Hernández-Rodríguez; Julio Caballero; Fabrice Leclerc; Luis Alberto Montero-Cabrera (Bioinform., 2022)