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MDSCAN: RMSD-based HDBSCAN clustering of long molecular dynamics.
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. Among authors: rodriguez serradet a.
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
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