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Daniel Platero-Rochart
ORCID
Publication Activity (10 Years)
Years Active: 2021-2023
Publications (10 Years): 4
Top Topics
Fluid Flow
Machine Learning
Scientific Data
Molecular Dynamics
Top Venues
Bioinform.
J. Chem. Inf. Model.
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Publications
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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)