Maria Natália Dias Soeiro Cordeiro (Maria Natália D S Cordeiro, M Natália D S Cordeiro, M Natalia D S Cordeiro, Maria Natália Ds Cordeiro, M Natália Dias Soeiro Cordeiro, M Natália Ds Cordeiro, M Natália D S Cordeiro, Maria Natalia D S Cordeiro, M Natália Dias Soeiro Cordeiro, M Nátalia D S Cordeiro)

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 44

Top Venues

Molecules (Basel, Switzerland)

International journal of molecular sciences

Journal of chemical information and modeling

Nanomaterials (Basel, Switzerland)

Universidade do Porto Faculdade de Ciências

University of Porto (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Universidade do Porto Faculdade de Ciências Jul 01 2003

Portugal

Associate Professor :: Chemistry and Biochemistry

Education History

University of Porto - Mar 01 1996

Portugal

PHD :: Chemistry Department

Publications

Ismail Mondal, Amit Kumar Halder, Nirupam Pattanayak, Sudip Kumar Mandal, Maria Natália Dias Soeiro Cordeiro
Shaping the Future of Obesity Treatment: In Silico Multi-Modeling of IP6K1 Inhibitors for Obesity and Metabolic Dysfunction. Pharmaceuticals (Basel, Switzerland) 17 (2) (2024)
Ismail Mondal, Amit Kumar Halder, Nirupam Pattanayak, Sudip Kumar Mandal, Maria Natália Dias Soeiro Cordeiro
Shaping the Future of Obesity Treatment: In Silico Multi-Modeling of IP6K1 Inhibitors for Obesity and Metabolic Dysfunction. Pharmaceuticals (Basel, Switzerland) 17 (2) (2024)
Valeria V Kleandrova, Maria Natália Dias Soeiro Cordeiro, Alejandro Speck-Planche
Ligand-Based Approach for Multi-Target Drug Discovery: PTML Modeling of Triple-Target Inhibitors. Current topics in medicinal chemistry (2024)
José Ferraz-Caetano, Filipe Teixeira, Maria Natália Dias Soeiro Cordeiro
Explainable Supervised Machine Learning Model To Predict Solvation Gibbs Energy. Journal of chemical information and modeling (2023)
Valeria V Kleandrova, Maria Natália Dias Soeiro Cordeiro, Alejandro Speck-Planche
Current in silico methods for multi-target drug discovery in early anticancer research: the rise of the perturbation-theory machine learning approach. Future medicinal chemistry (2023)
Shuvam Sar, Soumya Mitra, Parthasarathi Panda, Subhash C Mandal, Nilanjan Ghosh, Amit Kumar Halder, Maria Natália Dias Soeiro Cordeiro
In Silico Modeling and Structural Analysis of Soluble Epoxide Hydrolase Inhibitors for Enhanced Therapeutic Design. Molecules (Basel, Switzerland) 28 (17) (2023)
Riccardo Concu, Maria Natália Dias Soeiro Cordeiro, Martin Pérez-Pérez, Florentino Fdez-Riverola
MOZART, a QSAR Multi-Target Web-Based Tool to Predict Multiple Drug-Enzyme Interactions. Molecules (Basel, Switzerland) 28 (3) (2023)
Cátia A Bonito, Ricardo J Ferreira, Maria-José U Ferreira, Fernando Durães, Maria Emília Sousa, Jean-Pierre Gillet, Maria Natália Dias Soeiro Cordeiro, Daniel J V A Dos Santos
Probing the Allosteric Modulation of P-Glycoprotein: A Medicinal Chemistry Approach Toward the Identification of Noncompetitive P-Gp Inhibitors. ACS omega 8 (12) (2023)
Amit Kumar Halder, Soumya Mitra, Maria Natália Dias Soeiro Cordeiro
Designing multi-target drugs for the treatment of major depressive disorder. Expert opinion on drug discovery (2023)
Riccardo Concu, Maria Natália Dias Soeiro Cordeiro, Martin Pérez-Pérez, Florentino Fdez-Riverola
MOZART, a QSAR Multi-Target Web-Based Tool to Predict Multiple Drug-Enzyme Interactions. Molecules (Basel, Switzerland) 28 (3) (2023)
José Ferraz-Caetano, Filipe Teixeira, Maria Natália Dias Soeiro Cordeiro
Systematic Development of Vanadium Catalysts for Sustainable Epoxidation of Small Alkenes and Allylic Alcohols. International journal of molecular sciences 24 (15) (2023)
Riccardo Concu, Maria Natália Dias Soeiro Cordeiro, Martin Pérez-Pérez, Florentino Fdez-Riverola
MOZART, a QSAR Multi-Target Web-Based Tool to Predict Multiple Drug-Enzyme Interactions. Molecules (Basel, Switzerland) 28 (3) (2023)
Riccardo Concu, Maria Natália Dias Soeiro Cordeiro, Martin Pérez-Pérez, Florentino Fdez-Riverola
MOZART, a QSAR Multi-Target Web-Based Tool to Predict Multiple Drug-Enzyme Interactions. Molecules (Basel, Switzerland) 28 (3) (2023)
Valeria V Kleandrova, Maria Natália Dias Soeiro Cordeiro, Alejandro Speck-Planche
Optimizing drug discovery using multitasking models for quantitative structure-biological effect relationships: an update of the literature. Expert opinion on drug discovery (2023)
Zuzana Benková, Peter Čakánek, Maria Natália Dias Soeiro Cordeiro
Adsorption of Peptides onto Carbon Nanotubes Grafted with Poly(ethylene Oxide) Chains: A Molecular Dynamics Simulation Study. Nanomaterials (Basel, Switzerland) 12 (21) (2022)
David Ferro-Costas, Maria Natália Dias Soeiro Cordeiro, Antonio Fernandez-Ramos
An integrated protocol to study hydrogen abstraction reactions by atomic hydrogen in flexible molecules: application to butanol isomers. Physical chemistry chemical physics : PCCP 24 (5) (2022)
Patrícia Rebelo, João G Pacheco, Iuliia V Voroshylova, Isabel Seguro, Maria Natália Dias Soeiro Cordeiro, Cristina Delerue-Matos
Computational Modelling and Sustainable Synthesis of a Highly Selective Electrochemical MIP-Based Sensor for Citalopram Detection. Molecules (Basel, Switzerland) 27 (10) (2022)
Amit Kumar Halder, Reza Haghbakhsh, Iuliia V Voroshylova, Ana Rita C Duarte, Maria Natália Dias Soeiro Cordeiro
Predicting the Surface Tension of Deep Eutectic Solvents: A Step Forward in the Use of Greener Solvents. Molecules (Basel, Switzerland) 27 (15) (2022)
José L C Fajín, Maria Natália Dias Soeiro Cordeiro
N 2 O Hydrogenation on Silver Doped Gold Catalysts, a DFT Study. Nanomaterials (Basel, Switzerland) 12 (3) (2022)
Amit Kumar Halder, Ana S Moura, Maria Natália Dias Soeiro Cordeiro
Moving Average-Based Multitasking In Silico Classification Modeling: Where Do We Stand and What Is Next? International journal of molecular sciences 23 (9) (2022)
Meng Ji, Lihong Zhang, Xuming Zhuang, Chunyuan Tian, Feng Luan, Maria Natália Dias Soeiro Cordeiro
Toxicity Assessment of the Binary Mixtures of Aquatic Organisms Based on Different Hypothetical Descriptors. Molecules (Basel, Switzerland) 27 (19) (2022)
Amit Kumar Halder, Maria Natália Dias Soeiro Cordeiro
QSAR-Co-X: an open source toolkit for multitarget QSAR modelling. Journal of cheminformatics 13 (1) (2021)
Amit Kumar Halder, Maria Natália Dias Soeiro Cordeiro
AKT Inhibitors: The Road Ahead to Computational Modeling-Guided Discovery. International journal of molecular sciences 22 (8) (2021)
Amit Kumar Halder, Reza Haghbakhsh, Iuliia V Voroshylova, Ana Rita C Duarte, Maria Natália Dias Soeiro Cordeiro
Density of Deep Eutectic Solvents: The Path Forward Cheminformatics-Driven Reliable Predictions for Mixtures. Molecules (Basel, Switzerland) 26 (19) (2021)
Michael González-Durruthy, Riccardo Concu, Juan M Ruso, Maria Natália Dias Soeiro Cordeiro
New Mechanistic Insights on Carbon Nanotubes' Nanotoxicity Using Isolated Submitochondrial Particles, Molecular Docking, and Nano-QSTR Approaches. Biology 10 (3) (2021)
Amit Kumar Halder, Maria Natália Dias Soeiro Cordeiro
Multi-Target In Silico Prediction of Inhibitors for Mitogen-Activated Protein Kinase-Interacting Kinases. Biomolecules 11 (11) (2021)
Iván González-Veloso, Nádia M Figueiredo, Maria Natália Dias Soeiro Cordeiro
Unravelling the Interactions of Magnetic Ionic Liquids by Energy Decomposition Schemes: Towards a Transferable Polarizable Force Field. Molecules (Basel, Switzerland) 26 (18) (2021)
Michael González-Durruthy, Riccardo Concu, Laura F Osmari Vendrame, Ivana Zanella da Silva, Juan M Ruso, Maria Natália Dias Soeiro Cordeiro
Targeting Beta-Blocker Drug-Drug Interactions with Fibrinogen Blood Plasma Protein: A Computational and Experimental Study. Molecules (Basel, Switzerland) 25 (22) (2020)
Ana S Moura, Amit K Halder, Maria Natália Dias Soeiro Cordeiro
From biomedicinal to in silico models and back to therapeutics: a review on the advancement of peptidic modeling. Future medicinal chemistry 11 (17) (2020)
Cátia A Bonito, Ricardo J Ferreira, Maria-José U Ferreira, Jean-Pierre Gillet, Maria Natália Dias Soeiro Cordeiro, Daniel J V A Dos Santos
Theoretical insights on helix repacking as the origin of P-glycoprotein promiscuity. Scientific reports 10 (1) (2020)
Iuliia V Voroshylova, Heigo Ers, Borja Docampo-Álvarez, Piret Pikma, Vladislav B Ivaništšev, Maria Natália Dias Soeiro Cordeiro
Hysteresis in the MD Simulations of Differential Capacitance at the Ionic Liquid-Au Interface. The journal of physical chemistry letters 11 (24) (2020)
Ting Wang, Yunfei Wang, Xuming Zhuang, Feng Luan, Chunyan Zhao, Maria Natália Dias Soeiro Cordeiro
Interaction of Coumarin Phytoestrogens with ERα and ERβ: A Molecular Dynamics Simulation Study. Molecules (Basel, Switzerland) 25 (5) (2020)
António J Preto, Carlos A V Barreto, Salete J Baptista, José Guilherme de Almeida, Agostinho Lemos, André Melo, Maria Natália Dias Soeiro 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. Journal of chemical information and modeling 60 (8) (2020)
Pravin Ambure, Amit Kumar Halder, Humberto González-Díaz, Maria Natália Dias Soeiro Cordeiro
QSAR-Co: An Open Source Software for Developing Robust Multitasking or Multitarget Classification-Based QSAR Models. Journal of chemical information and modeling 59 (6) (2019)
Yunierkis Perez Castillo, Stellamaris Sotomayor-Burneo, Karina Jimenes-Vargas, Mario Gonzalez-Rodriguez, Maykel Cruz-Monteagudo, Vinicio Armijos-Jaramillo, Maria Natália Dias Soeiro Cordeiro, Fernanda Borges, Aminael Sánchez-Rodríguez, Eduardo Tejera
CompScore: Boosting Structure-Based Virtual Screening Performance by Incorporating Docking Scoring Function Components into Consensus Scoring. Journal of chemical information and modeling 59 (9) (2019)
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. Molecules (Basel, Switzerland) 24 (21) (2019)
Riccardo Concu, Maria Natália Dias Soeiro Cordeiro, Cristian R Munteanu, Humberto González-Díaz
PTML Model of Enzyme Subclasses for Mining the Proteome of Biofuel Producing Microorganisms. Journal of proteome research 18 (7) (2019)
Amit Kumar Halder, Maria 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. International journal of molecular sciences 20 (17) (2019)
Pravin Ambure, Agnieszka Gajewicz-Skretna, Maria Natália Dias Soeiro 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. Journal of chemical information and modeling 59 (10) (2019)
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, Maria Natália Dias Soeiro Cordeiro
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 32 (4) (2019)
Riccardo Concu, Maria Natália Dias Soeiro Cordeiro
Alignment-Free Method to Predict Enzyme Classes and Subclasses. International journal of molecular sciences 20 (21) (2019)
Feng Luan, Ting Wang, Lili Tang, Shuang Zhang, Maria Natália Dias Soeiro Cordeiro
Estimation of the Toxicity of Different Substituted Aromatic Compounds to the Aquatic Ciliate Tetrahymena pyriformis by QSAR Approach. Molecules (Basel, Switzerland) 23 (5) (2018)
Ting Wang, Lili Tang, Feng Luan, Maria Natália Dias Soeiro Cordeiro
Prediction of the Toxicity of Binary Mixtures by QSAR Approach Using the Hypothetical Descriptors. International journal of molecular sciences 19 (11) (2018)
José L C Fajín, Maria Natália Dias Soeiro Cordeiro, José R B Gomes
Prediction of metallic nanotube reactivity for H2O activation. Physical chemistry chemical physics : PCCP 19 (29) (2018)

Publication Activity (10 Years)

Top Topics

Top Venues