Accueil
Daniel Platero-Rochart
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