M. Natália D. S. Cordeiro

All papers authored by M. Natália D. S. Cordeiro

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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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2020 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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This paper is made freely available by the publisher.

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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Ana Yisel Caballero-Alfonso, Maykel Cruz-Monteagudo, Eduardo Tejera, Emilio Benfenati, Fernanda Borges, M. Natália D. S. Cordeiro

, Vinicio Armijos-Jaramillo, Yunierkis Perez-Castillo

Ensemble-Based Modeling of Chemical Compounds with Antimalarial Activity

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Volodymyr A. Koverga, Yevheniia Smortsova, François Alexandre Miannay, Oleg N. Kalugin, Toshiyuki Takamuku

, Pal Jedlovszky

, Bogdan Marekha, M. Natalia D. S. Cordeiro

, Abdenacer Idrissi

Distance Angle Descriptors of the Interionic and Ion–Solvent Interactions in Imidazolium-Based Ionic Liquid Mixtures with Aprotic Solvents: A Molecular Dynamics Simulation Study

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Amal Kanta Giri, Filipe Teixeira

, M. Natália D. S. Cordeiro

Salt separation from water using graphene oxide nanochannels: A molecular dynamics simulation study

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Michael González-Durruthy

, José M. Monserrat, Patricia Viera de Oliveira, Solange Binotto Fagan, Adriano V. Werhli, Karina Machado

, André Melo

, Humberto González-Díaz, Riccardo Concu

, M. Natália D. S. Cordeiro

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

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All papers authored by M. Natália D. S. Cordeiro