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Advanced in silico approaches for drug discovery: Mining information from multiple biological and chemical data through mtk-QSBER and pt-QSPR strategies.Chemoinformatics profiling of ionic liquids--uncovering structure-cytotoxicity relationships with network-like similarity graphs.Enabling the Discovery and Virtual Screening of Potent and Safe Antimicrobial Peptides. Simultaneous Prediction of Antibacterial Activity and Cytotoxicity.Speeding up Early Drug Discovery in Antiviral Research: A Fragment-Based in Silico Approach for the Design of Virtual Anti-Hepatitis C Leads.Chemoinformatics for medicinal chemistry: in silico model to enable the discovery of potent and safer anti-cocci agents.Chemoinformatics profiling of ionic liquids--automatic and chemically interpretable cytotoxicity profiling, virtual screening, and cytotoxicophore identification.Prediction of metallic nanotube reactivity for H2O activation.Quantitative structure-carcinogenicity relationship for detecting structural alerts in nitroso compounds: species, rat; sex, female; route of administration, gavage.Prediction of the baseline toxicity of non-polar narcotic chemical mixtures by QSAR approach.In silico studies targeting G-protein coupled receptors for drug research against Parkinson's disease.Hydration Structure of Cocaine and its Metabolites: A Molecular Dynamics StudyTowards the Discovery of a Novel Class of Monoamine Oxidase Inhibitors: Structure-Property-Activity and Docking Studies on Chromone AmidesReview of quantitative structure-activity/property relationship studies of dyes: recent advances and perspectivesMolecular Simulation of the Interface between Two Immiscible Electrolyte SolutionsPrediction of the Toxicity of Binary Mixtures by QSAR Approach Using the Hypothetical DescriptorsDynamic Structure of NGF and proNGF Complexed with p75NTR: Pro-Peptide EffectEstimation of the Toxicity of Different Substituted Aromatic Compounds to the Aquatic Ciliate Tetrahymena pyriformis by QSAR ApproachNew Workflow for QSAR Model Development from Small Data Sets: Small Dataset Curator and Small Dataset Modeler. Integration of Data Curation, Exhaustive Double Cross-Validation, and a Set of Optimal Model Selection TechniquesInteraction of Coumarin Phytoestrogens with ERα and ERβ: A Molecular Dynamics Simulation StudyFrom biomedicinal to in silico models and back to therapeutics: a review on the advancement of peptidic modelingMulti-Target Chemometric Modelling, Fragment Analysis and Virtual Screening with ERK Inhibitors as Potential Anticancer AgentsAlignment-Free Method to Predict Enzyme Classes and SubclassesPTML Model of Enzyme Subclasses for Mining the Proteome of Biofuel Producing MicroorganismsQSAR-Co: An Open Source Software for Developing Robust Multitasking or Multitarget Classification-Based QSAR ModelsComputational MitoTarget Scanning Based on Topological Vacancies of Single-Walled Carbon Nanotubes with the Human Mitochondrial Voltage-Dependent Anion Channel (hVDAC1)CompScore: Boosting Structure-Based Virtual Screening Performance by Incorporating Docking Scoring Function Components into Consensus ScoringDevelopment of Multi-Target Chemometric Models for the Inhibition of Class I PI3K Enzyme Isoforms: A Case Study Using QSAR-Co ToolTheoretical insights on helix repacking as the origin of P-glycoprotein promiscuity
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researcher
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Maria Natália Dias Soeiro Cordeiro
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Maria Natália Dias Soeiro Cordeiro
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Maria Natália Dias Soeiro Cordeiro
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Maria Natália Dias Soeiro Cordeiro
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Maria Natália Dias Soeiro Cordeiro
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Maria Natália Dias Soeiro Cordeiro
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Maria Natália Dias Soeiro Cordeiro
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Maria Natália Dias Soeiro Cordeiro
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Maria Natália Dias Soeiro Cordeiro
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Maria Natália Dias Soeiro Cordeiro
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Maria Natália Dias Soeiro Cordeiro
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Maria Natália Dias Soeiro Cordeiro
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Maria Natália Dias Soeiro Cordeiro
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Maria Natália Dias Soeiro Cordeiro
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Maria Natália Dias Soeiro Cordeiro
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0000-0003-3375-8670