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Journal Articles
- 2023
[j4]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): 4623-4632 (2023)- 2022
- [j3]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): 1863-1869 (2022) - [j2]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): 5191-5198 (2022) - 2021
- [j1]Roy González-Alemán, Daniel Platero-Rochart, David Hernández-Castillo, Erix Wiliam 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): 73-79 (2021)
Coauthor Index
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