Daniel Platero-Rochart

According to our database, Daniel Platero-Rochart authored at least 4 papers between 2021 and 2023.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2023

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., August, 2023

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., November, 2022

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

2021

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