Daniel Platero-Rochart

Publication Activity (10 Years)

Years Active: 2021-2023
Publications (10 Years): 4

Top Topics

Machine Learning

Scientific Data

Molecular Dynamics

Top Venues

J. Chem. Inf. Model.

Publications

Daniel Platero-Rochart, Tatyana Krivobokova, Michael Gastegger, Gilbert Reibnegger, Pedro A. Sánchez-Murcia
Prediction of Enzyme Catalysis by Computing Reaction Energy Barriers via Steered QM/MM Molecular Dynamics Simulations and Machine Learning. J. Chem. Inf. Model. 63 (15) (2023)
Roy González-Alemán, Daniel Platero-Rochart, Alejandro Rodríguez-Serradet, Erix Wiliam Hernández-Rodríguez, Julio Caballero, Fabrice Leclerc, Luis Alberto Montero-Cabrera
MDSCAN: RMSD-based HDBSCAN clustering of long molecular dynamics. Bioinform. 38 (23) (2022)
Daniel Platero-Rochart, Roy González-Alemán, Erix Wiliam Hernández-Rodríguez, Fabrice Leclerc, Julio Caballero, Luis Alberto Montero-Cabrera
RCDPeaks: memory-efficient density peaks clustering of long molecular dynamics. Bioinform. 38 (7) (2022)
Roy González-Alemán, Daniel Platero-Rochart, David Hernández-Castillo, Erix W. Hernández-Rodríguez, Julio Caballero, Fabrice Leclerc, Luis Alberto Montero-Cabrera
BitQT: a graph-based approach to the quality threshold clustering of molecular dynamics. Bioinform. 38 (1) (2021)