N(2)O Hydrogenation on Silver Doped Gold Catalysts, a DFT Study

por Fajín, José L. C., Cordeiro, Maria Natália D. S.
Publicado 2022

Adsorption of Peptides onto Carbon Nanotubes Grafted with Poly(ethylene Oxide) Chains: A Molecular Dynamics Simulation Study

por Benková, Zuzana, Čakánek, Peter, Cordeiro, Maria Natália D. S.
Publicado 2022

Moving Average-Based Multitasking In Silico Classification Modeling: Where Do We Stand and What Is Next?

por Halder, Amit Kumar, Moura, Ana S., Cordeiro, Maria Natália D. S.
Publicado 2022

In silico characterization of aryl benzoyl hydrazide derivatives as potential inhibitors of RdRp enzyme of H5N1 influenza virus

por Ghosh, Abhishek, Panda, Parthasarathi, Halder, Amit Kumar, Cordeiro, Maria Natalia D. S.
Publicado 2022

Toxicity Assessment of the Binary Mixtures of Aquatic Organisms Based on Different Hypothetical Descriptors

por Ji, Meng, Zhang, Lihong, Zhuang, Xuming, Tian, Chunyuan, Luan, Feng, Cordeiro, Maria Natália D. S.
Publicado 2022

Predicting the Surface Tension of Deep Eutectic Solvents: A Step Forward in the Use of Greener Solvents

por Halder, Amit Kumar, Haghbakhsh, Reza, Voroshylova, Iuliia V., Duarte, Ana Rita C., Cordeiro, Maria Natalia D. S.
Publicado 2022

Computational Modelling and Sustainable Synthesis of a Highly Selective Electrochemical MIP-Based Sensor for Citalopram Detection

por Rebelo, Patrícia, Pacheco, João G., Voroshylova, Iuliia V., Seguro, Isabel, Cordeiro, Maria Natália D. S., Delerue-Matos, Cristina
Publicado 2022

In Silico Modeling and Structural Analysis of Soluble Epoxide Hydrolase Inhibitors for Enhanced Therapeutic Design

por Sar, Shuvam, Mitra, Soumya, Panda, Parthasarathi, Mandal, Subhash C., Ghosh, Nilanjan, Halder, Amit Kumar, Cordeiro, Maria Natalia D. S.
Publicado 2023

A Machine Learning Approach for Hot-Spot Detection at Protein-Protein Interfaces

por Melo, Rita, Fieldhouse, Robert, Melo, André, Correia, João D. G., Cordeiro, Maria Natália D. S., Gümüş, Zeynep H., Costa, Joaquim, Bonvin, Alexandre M. J. J., Moreira, Irina S.
Publicado 2016