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Page 1
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: hernandez rodriguez ew. 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
Panusin represents a new family of β-defensin-like peptides in invertebrates.
Montero-Alejo V, Corzo G, Porro-Suardíaz J, Pardo-Ruiz Z, Perera E, Rodríguez-Viera L, Sánchez-Díaz G, Hernández-Rodríguez EW, Álvarez C, Peigneur S, Tytgat J, Perdomo-Morales R. Montero-Alejo V, et al. Dev Comp Immunol. 2017 Feb;67:310-321. doi: 10.1016/j.dci.2016.09.002. Epub 2016 Sep 9. Dev Comp Immunol. 2017. PMID: 27616720
BitQT: A Graph-Based Approach to the Quality Threshold Clustering of Molecular Dynamics.
González-Alemán R, Platero-Rochart D, Hernández-Castillo D, Hernández-Rodríguez EW, Caballero J, Leclerc F, Montero-Cabrera L. González-Alemán R, et al. Among authors: hernandez rodriguez ew. Bioinformatics. 2021 Aug 16:btab595. doi: 10.1093/bioinformatics/btab595. Online ahead of print. Bioinformatics. 2021. PMID: 34398215
Machine learning approach to discovery of small molecules with potential inhibitory action against vasoactive metalloproteases.
Cañizares-Carmenate Y, Mena-Ulecia K, MacLeod Carey D, Perera-Sardiña Y, Hernández-Rodríguez EW, Marrero-Ponce Y, Torrens F, Castillo-Garit JA. Cañizares-Carmenate Y, et al. Among authors: hernandez rodriguez ew. Mol Divers. 2021 Jul 3. doi: 10.1007/s11030-021-10260-0. Online ahead of print. Mol Divers. 2021. PMID: 34216326