Daniel Platero-Rochart

Affiliations

Departamento de Química-Física, Laboratorio de Química Computacional y Teórica (LQCT), Facultad de Química, Universidad de La Habana, La Habana 10400, Cuba.

ORCID: 0000-0001-6454-4320

Publications (4)

BitQT: a graph-based approach to the quality threshold clustering of molecular dynamics.

Bioinformatics (Oxford, England)

Avec: Roy González-Alemán , Daniel Platero-Rochart , David Hernández-Castillo , Erix W Hernández-Rodríguez , Julio Caballero , Fabrice Leclerc , Luis Montero-Cabrera

RCDPeaks: memory-efficient density peaks clustering of long molecular dynamics.

Bioinformatics (Oxford, England)

Avec: Daniel Platero-Rochart , Roy González-Alemán , Erix W Hernández-Rodríguez , Fabrice Leclerc , Julio Caballero , Luis Montero-Cabrera

MDSCAN: RMSD-based HDBSCAN clustering of long molecular dynamics.

Bioinformatics (Oxford, England)

Avec: Roy González-Alemán , Daniel Platero-Rochart , Alejandro Rodríguez-Serradet , Erix W Hernández-Rodríguez , Julio Caballero , Fabrice Leclerc , Luis Montero-Cabrera

Prediction of Enzyme Catalysis by Computing Reaction Energy Barriers via Steered QM/MM Molecular Dynamics Simulations and Machine Learning.

Journal of chemical information and modeling

Avec: Daniel Platero-Rochart , Tatyana Krivobokova , Michael Gastegger , Gilbert Reibnegger , Pedro A Sánchez-Murcia

Réseau de co-auteurs

Roy González-Alemán 3 collaborations

Erix W Hernández-Rodríguez 3 collaborations

Julio Caballero 3 collaborations

Fabrice Leclerc 3 collaborations

Luis Montero-Cabrera 3 collaborations

David Hernández-Castillo 1 collaboration

Alejandro Rodríguez-Serradet 1 collaboration

Tatyana Krivobokova 1 collaboration

Michael Gastegger 1 collaboration

Gilbert Reibnegger 1 collaboration

Pedro A Sánchez-Murcia 1 collaboration