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MDSCAN: RMSD-based HDBSCAN clustering of long molecular dynamics.
González-Alemán R, Platero-Rochart D, Rodríguez-Serradet A, Hernández-Rodríguez EW, Caballero J, Leclerc F, Montero-Cabrera L. González-Alemán R, et al. Bioinformatics. 2022 Nov 30;38(23):5191-5198. doi: 10.1093/bioinformatics/btac666. Bioinformatics. 2022. PMID: 36205607
BitClust: Fast Geometrical Clustering of Long Molecular Dynamics Simulations.
González-Alemán R, Hernández-Castillo D, Rodríguez-Serradet A, Caballero J, Hernández-Rodríguez EW, Montero-Cabrera L. González-Alemán R, et al. J Chem Inf Model. 2020 Feb 24;60(2):444-448. doi: 10.1021/acs.jcim.9b00828. Epub 2019 Nov 6. J Chem Inf Model. 2020. PMID: 31651166
RCDPeaks: memory-efficient density peaks clustering of long molecular dynamics.
Platero-Rochart D, González-Alemán R, Hernández-Rodríguez EW, Leclerc F, Caballero J, Montero-Cabrera L. Platero-Rochart D, et al. Among authors: gonzalez aleman r. Bioinformatics. 2022 Mar 28;38(7):1863-1869. doi: 10.1093/bioinformatics/btac021. Bioinformatics. 2022. PMID: 35020783