M. Natália D. S. Cordeiro

Papers authored by M. Natália D. S. Cordeiro

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2023 Riccardo Concu

, Maria Natália Dias Soeiro Cordeiro

, M. Natalia D. S. Cordeiro, Martín Pérez-Pérez

, Florentino Fdez-Riverola

MOZART, a QSAR Multi-Target Web-Based Tool to Predict Multiple Drug–Enzyme Interactions

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2022 Patrícia Rebelo, João G. Pacheco, Iuliia V. Voroshylova

, André Melo

, M. Natália D. S. Cordeiro

, Cristina Delerue-Matos

A simple electrochemical detection of atorvastatin based on disposable screen-printed carbon electrodes modified by molecularly imprinted polymer: Experiment and simulation

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2021 Patricia Ferreira Schopf, Ivana Zanella

, M. Natália D. S. Cordeiro

, Juan M. Ruso

, Michael González-Durruthy

, Mirkos Ortiz Martins

Nanomarker for Early Detection of Alzheimer’s Disease Combining Ab initio DFT Simulations and Molecular Docking Approach

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Michael González-Durruthy

, Riccardo Concu

, Juan M. Ruso

, M. Natália D. S. Cordeiro

New Mechanistic Insights on Carbon Nanotubes’ Nanotoxicity Using Isolated Submitochondrial Particles, Molecular Docking, and Nano-QSTR Approaches

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2020 Michael González-Durruthy

, Riccardo Concu

, Laura F. Osmari Vendrame

, Ivana Zanella

, Juan M. Ruso

, M. Natália D. S. Cordeiro

Targeting Beta-Blocker Drug–Drug Interactions with Fibrinogen Blood Plasma Protein: A Computational and Experimental Study

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Michael González-Durruthy

, Amal Kanta Giri, Irina Moreira

, Riccardo Concu

, André Melo

, Juan M. Ruso, M. Natália D. S. Cordeiro

Computational modeling on mitochondrial channel nanotoxicity

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Patrícia Rebelo, João G. Pacheco, Iuliia V. Voroshylova, André Melo

, M. Natália D. S. Cordeiro

, Cristina Delerue-Matos

Rational development of molecular imprinted carbon paste electrode for Furazolidone detection: theoretical and experimental approach

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A. J. Preto

, Carlos A. V. Barreto

, Salete J. Baptista, José Guilherme de Almeida, Agostinho Lemos

, André Melo

, M. Nátalia D. S. Cordeiro

, Zeynep Kurkcuoglu, Rita Melo

, Irina S. Moreira

Understanding the Binding Specificity of G-Protein Coupled Receptors toward G-Proteins and Arrestins: Application to the Dopamine Receptor Family

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Amit Kumar Halder, André Melo

, M. Natália D. S. Cordeiro

A unified in silico model based on perturbation theory for assessing the genotoxicity of metal oxide nanoparticles

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Patrícia Rebelo, João G. Pacheco

, M. Natália D. S. Cordeiro

, André Melo

, Cristina Delerue-Matos

Azithromycin electrochemical detection using a molecularly imprinted polymer prepared on a disposable screen-printed electrode

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2019 Magalhães, Machuqueiro, Almeida, Melo

, D. S. Cordeiro

, Verde, Gümüş, Moreira, D. G. Correia

Dynamical Rearrangement of Human Epidermal Growth Factor Receptor 2 upon Antibody Binding: Effects on the Dimerization

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Nádia M. Figueiredo, Iuliia V. Voroshylova, Volodymyr A. Koverga, Elisabete S. C. Ferreira, M. Natália D. S. Cordeiro

Influence of alcohols on the inter-ion interactions in ionic liquids: A molecular dynamics study

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Amit Kumar Halder

, Amal Kanta Giri, Maria Natália Dias Soeiro Cordeiro

Multi-Target Chemometric Modelling, Fragment Analysis and Virtual Screening with ERK Inhibitors as Potential Anticancer Agents

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Riccardo Concu

, M. Natália D. S. Cordeiro

Alignment-Free Method to Predict Enzyme Classes and Subclasses

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This paper was not found in any repository; the policy of its publisher is unknown or unclear.

Pravin Ambure

, Agnieszka Gajewicz-Skretna

, M. Natalia D. S. Cordeiro

, Kunal Roy

New 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 Techniques

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Ana S. Moura, Amit K. Halder, M. Natália Ds Cordeiro

From biomedicinal to in silico models and back to therapeutics: a review on the advancement of peptidic modeling

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Iuliia V. Voroshylova, Meeri Lembinen, Heigo Ers, Maksim Mišin, Volodymyr A. Koverga, Carlos M. Pereira, Vladislav B. Ivaništšev, M. Natália D. S. Cordeiro

On the role of the surface charge plane position at Au(hkl)–BMImPF6 interfaces

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Michael González-Durruthy, Gustavo Scanavachi, Ramón Rial, Zhen Liu, M. Natália D. S. Cordeiro

, Rosangela Itri, Juan M. Ruso

Structural and energetic evolution of fibrinogen toward to the betablocker interactions

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Amit Kumar Halder, M. Natália Dias Soeiro Cordeiro

Development of Multi-Target Chemometric Models for the Inhibition of Class I PI3K Enzyme Isoforms: A Case Study Using QSAR-Co Tool

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Volodymyr A. Koverga, Iuliia V. Voroshylova, Yevheniia Smortsova, François-Aledxandre Miannay, M. Natalia D. S. Cordeiro

, Abdenacer Idrissi, Oleg N. Kalugin

Local structure and hydrogen bonding in liquid γ-butyrolactone and propylene carbonate: A molecular dynamics simulation

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Papers authored by M. Natália D. S. Cordeiro