Medizinische Universität Graz Austria/Österreich - Forschungsportal - Medical University of Graz
Platero Rochart Daniel de Jesus |
** = Publikationen gelistet in SCI/SSCI/Pubmed
2023
Originalarbeit (Zeitschrift)
** Platero-Rochart, D; Krivobokova, T; Gastegger, M; Reibnegger, G; Sanchez-Murcia, PA
Prediction of Enzyme Catalysis by Computing Reaction Energy Barriers via Steered QM/MM Molecular Dynamics Simulations and Machine Learning
J CHEM INF MODEL. 2023;
Doi: 10.1021/acs.jcim.3c00772
[OPEN ACCESS]
Web of Science
PubMed
FullText
FullText_MUG
2022
Originalarbeit (Zeitschrift)
** González-Alemán, R; Platero-Rochart, D; Hernández-Castillo, D; Hernández-Rodríguez, EW; Caballero, J; Leclerc, F; Montero-Cabrera, L
BitQT: a graph-based approach to the quality threshold clustering of molecular dynamics.
Bioinformatics. 2021; 38(1): 73-79.
Doi: 10.1093/bioinformatics/btab595
Web of Science
PubMed
FullText
FullText_MUG
** González-Alemán, R; Platero-Rochart, D; Rodríguez-Serradet, A; Hernández-Rodríguez, EW; Caballero, J; Leclerc, F; Montero-Cabrera, L
MDSCAN: RMSD-based HDBSCAN clustering of long molecular dynamics.
Bioinformatics. 2022; 38(23): 5191-5198.
Doi: 10.1093/bioinformatics/btac666
Web of Science
PubMed
FullText
FullText_MUG
** Platero-Rochart, D; González-Alemán, R; Hernández-Rodríguez, EW; Leclerc, F; Caballero, J; Montero-Cabrera, L
RCDPeaks: memory-efficient density peaks clustering of long molecular dynamics.
Bioinformatics. 2022; 38(7): 1863-1869.
Doi: 10.1093/bioinformatics/btac021
Web of Science
PubMed
FullText
FullText_MUG