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)

Prediction of Enzyme Catalysis by Computing Reaction Energy Barriers via Steered QM/MM Molecular Dynamics Simulations and Machine Learning. - Daniel Platero-Rochart; Tatyana Krivobokova; Michael Gastegger; Gilbert Reibnegger; Pedro A. Sánchez-Murcia (J. Chem. Inf. Model., 2023)