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

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

Molecules (Basel, Switzerland), 2022-09, Vol.27 (19), p.6389 [Periódico revisado por pares]

Basel: MDPI AG

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2
In Silico Modeling and Structural Analysis of Soluble Epoxide Hydrolase Inhibitors for Enhanced Therapeutic Design
In Silico Modeling and Structural Analysis of Soluble Epoxide Hydrolase Inhibitors for Enhanced Therapeutic Design
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In Silico Modeling and Structural Analysis of Soluble Epoxide Hydrolase Inhibitors for Enhanced Therapeutic Design

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

Molecules (Basel, Switzerland), 2023-08, Vol.28 (17), p.6379 [Periódico revisado por pares]

Basel: MDPI AG

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3
Computational Modelling and Sustainable Synthesis of a Highly Selective Electrochemical MIP-Based Sensor for Citalopram Detection
Computational Modelling and Sustainable Synthesis of a Highly Selective Electrochemical MIP-Based Sensor for Citalopram Detection
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Computational Modelling and Sustainable Synthesis of a Highly Selective Electrochemical MIP-Based Sensor for Citalopram Detection

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

Molecules (Basel, Switzerland), 2022-05, Vol.27 (10), p.3315 [Periódico revisado por pares]

Switzerland: MDPI AG

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4
Interaction of Coumarin Phytoestrogens with ER α and ER β : A Molecular Dynamics Simulation Study
Interaction of Coumarin Phytoestrogens with ER α and ER β : A Molecular Dynamics Simulation Study
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Interaction of Coumarin Phytoestrogens with ER α and ER β : A Molecular Dynamics Simulation Study

Wang, Ting ; Wang, Yunfei ; Zhuang, Xuming ; Luan, Feng ; Zhao, Chunyan ; Cordeiro, M Natália D S

Molecules (Basel, Switzerland), 2020-03, Vol.25 (5), p.1165 [Periódico revisado por pares]

Switzerland: MDPI AG

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5
Predicting the Surface Tension of Deep Eutectic Solvents: A Step Forward in the Use of Greener Solvents
Predicting the Surface Tension of Deep Eutectic Solvents: A Step Forward in the Use of Greener Solvents
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Predicting the Surface Tension of Deep Eutectic Solvents: A Step Forward in the Use of Greener Solvents

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

Molecules (Basel, Switzerland), 2022-07, Vol.27 (15), p.4896 [Periódico revisado por pares]

Basel: MDPI AG

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6
Targeting Beta-Blocker Drug-Drug Interactions with Fibrinogen Blood Plasma Protein: A Computational and Experimental Study
Targeting Beta-Blocker Drug-Drug Interactions with Fibrinogen Blood Plasma Protein: A Computational and Experimental Study
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Targeting Beta-Blocker Drug-Drug Interactions with Fibrinogen Blood Plasma Protein: A Computational and Experimental Study

González-Durruthy, Michael ; Concu, Riccardo ; Vendrame, Laura F Osmari ; Zanella, Ivana ; Ruso, Juan M ; Cordeiro, M Natália D S

Molecules (Basel, Switzerland), 2020-11, Vol.25 (22), p.5425 [Periódico revisado por pares]

Switzerland: MDPI AG

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7
Unravelling the Interactions of Magnetic Ionic Liquids by Energy Decomposition Schemes: Towards a Transferable Polarizable Force Field
Unravelling the Interactions of Magnetic Ionic Liquids by Energy Decomposition Schemes: Towards a Transferable Polarizable Force Field
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Unravelling the Interactions of Magnetic Ionic Liquids by Energy Decomposition Schemes: Towards a Transferable Polarizable Force Field

González-Veloso, Iván ; Figueiredo, Nádia M. ; Cordeiro, M. Natália D. S.

Molecules (Basel, Switzerland), 2021-09, Vol.26 (18), p.5526 [Periódico revisado por pares]

Basel: MDPI AG

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8
Chemical Evaluation of Liquidambar styraciflua L. Fruits Extracts and Their Potential as Anticancer Drugs
Chemical Evaluation of Liquidambar styraciflua L. Fruits Extracts and Their Potential as Anticancer Drugs
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Chemical Evaluation of Liquidambar styraciflua L. Fruits Extracts and Their Potential as Anticancer Drugs

Pozzobon, Rafaela G ; Rutckeviski, Renata ; Carlotto, Juliane ; Schneider, Vanessa S ; Cordeiro, Lucimara M C ; Mancarz, Graziele Francine Franco ; Souza, Lauro M de ; Mello, Rosiane Guetter ; Smiderle, Fhernanda Ribeiro

Molecules (Basel, Switzerland), 2023-01, Vol.28 (1), p.360 [Periódico revisado por pares]

Switzerland: MDPI AG

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9
MOZART, a QSAR Multi-Target Web-Based Tool to Predict Multiple Drug-Enzyme Interactions
MOZART, a QSAR Multi-Target Web-Based Tool to Predict Multiple Drug-Enzyme Interactions
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MOZART, a QSAR Multi-Target Web-Based Tool to Predict Multiple Drug-Enzyme Interactions

Concu, Riccardo ; Cordeiro, Maria Natália Dias Soeiro ; Pérez-Pérez, Martín ; Fdez-Riverola, Florentino

Molecules (Basel, Switzerland), 2023-01, Vol.28 (3), p.1182 [Periódico revisado por pares]

Switzerland: MDPI AG

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10
A Review on Lithium-Ion Battery Separators towards Enhanced Safety Performances and Modelling Approaches
A Review on Lithium-Ion Battery Separators towards Enhanced Safety Performances and Modelling Approaches
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A Review on Lithium-Ion Battery Separators towards Enhanced Safety Performances and Modelling Approaches

Li, Ao ; Yuen, Anthony Chun Yin ; Wang, Wei ; De Cachinho Cordeiro, Ivan Miguel ; Wang, Cheng ; Chen, Timothy Bo Yuan ; Zhang, Jin ; Chan, Qing Nian ; Yeoh, Guan Heng

Molecules (Basel, Switzerland), 2021-01, Vol.26 (2), p.478 [Periódico revisado por pares]

Switzerland: MDPI AG

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