Publications in collaboration with researchers from Fundação Universidade Federal do Rio Grande (7)

2019

  1. Computational MitoTarget Scanning Based on Topological Vacancies of Single-Walled Carbon Nanotubes with the Human Mitochondrial Voltage-Dependent Anion Channel (hVDAC1)

    Chemical Research in Toxicology, Vol. 32, Núm. 4, pp. 566-577

  2. MitoTarget Modeling Using ANN-Classification Models Based on Fractal SEM Nano-Descriptors: Carbon Nanotubes as Mitochondrial F0F1-ATPase Inhibitors

    Journal of Chemical Information and Modeling, Vol. 59, Núm. 1, pp. 86-97

2017

  1. Carbon nanotubes’ effect on mitochondrial oxygen flux dynamics: Polarography experimental study and machine learning models using star graph trace invariants of raman spectra

    Nanomaterials, Vol. 7, Núm. 11

  2. Decrypting Strong and Weak Single-Walled Carbon Nanotubes Interactions with Mitochondrial Voltage-Dependent Anion Channels Using Molecular Docking and Perturbation Theory

    Scientific Reports, Vol. 7, Núm. 1

  3. Experimental-Computational Study of Carbon Nanotube Effects on Mitochondrial Respiration: In Silico Nano-QSPR Machine Learning Models Based on New Raman Spectra Transform with Markov-Shannon Entropy Invariants

    Journal of Chemical Information and Modeling, Vol. 57, Núm. 5, pp. 1029-1044

  4. QSPR/QSAR-based Perturbation Theory approach and mechanistic electrochemical assays on carbon nanotubes with optimal properties against mitochondrial Fenton reaction experimentally induced by Fe2+-overload

    Carbon, Vol. 115, pp. 312-330

2016

  1. Predicting the binding properties of single walled carbon nanotubes (SWCNT) with an ADP/ATP mitochondrial carrier using molecular docking, chemoinformatics, and nano-QSBR perturbation theory

    RSC Advances, Vol. 6, Núm. 63, pp. 58680-58693