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Decrypting strong and weak single-walled carbon nanotubes interactions with mitochondrial voltage-dependent anion channels using molecular docking and perturbation theory
(Nature, 2017-10-16)
[Abstract] The current molecular docking study provided the Free Energy of Binding (FEB) for the interaction (nanotoxicity) between VDAC mitochondrial channels of three species (VDAC1-Mus musculus, VDAC1-Homo sapiens, ...
Experimental study and random forest prediction model of microbiome cell surface hydrophobicity
(Elsevier, 2016-11-09)
[Abstract] The cell surface hydrophobicity (CSH) is an assessable physicochemical property used to evaluate the microbial adhesion to the surface of biomaterials, which is an essential step in the microbial biofilm formation ...
Prediction of Nucleoitide Binding Peptides Using Star Graph Topological Índices
(Elsevier, 2015-08-05)
[Abstract] The nucleotide binding proteins are involved in many important cellular processes, such as transmission of genetic information or energy transfer and storage. Therefore, the screening of new peptides for this ...
Mapping chemical structure-activity information of HAART-drug cocktails over complex networks of AIDS epidemiology and socioeconomic data of U.S. counties
(Elsevier, 2015-04-24)
[Abstract] Using computational algorithms to design tailored drug cocktails for highly active antiretroviral therapy (HAART) on specific populations is a goal of major importance for both pharmaceutical industry and public ...
Net-net Auto machine learning (AutoML) prediction of complex ecosystems
(Nature, 2018-08-17)
[Abstract] Biological Ecosystem Networks (BENs) are webs of biological species (nodes) establishing trophic relationships (links). Experimental confirmation of all possible links is difficult and generates a huge volume ...
Classification of mild cognitive impairment and Alzheimer’s Disease with machine-learning techniques using 1H Magnetic Resonance Spectroscopy data
(Elsevier, 2015-03-30)
[Abstract] Several magnetic resonance techniques have been proposed as non-invasive imaging biomarkers for the evaluation of disease progression and early diagnosis of Alzheimer’s Disease (AD). This work is the first ...
ANN multiscale model of anti-HIV Drugs activity vs AIDS prevalence in the US at county level based on information indices of molecular graphs and social networks
(American Chemical Society, 2014)
[Abstract] This work is aimed at describing the workflow for a methodology that combines chemoinformatics and pharmacoepidemiology methods and at reporting the first predictive model developed with this methodology. The ...
Estudio fenomenológico sobre la relación entre el envejecimiento activo y la terapia ocupacional en centros de día y residencias de la ciudad de A Coruña
(Universidad de Chile, 2017-06-30)
[Resumen] Objetivos: El Envejecimiento Activo se centra en la participación de las personas mayores en los asuntos sociales, económicos, culturales, espirituales y cívicos, y no únicamente en la capacidad de estar activos ...
Experimental Study and ANN Dual-Time Scale Perturbation Model of Electrokinetic Properties of Microbiota
(Frontiers Science, 2017-06-30)
[Abstract] The electrokinetic properties of the rumen microbiota are involved in cell surface adhesion and microbial metabolism. An in vitro study was carried out in batch culture to determine the effects of three levels ...