Adsorption of Peptides onto Carbon Nanotubes Grafted with Poly(ethylene Oxide) Chains: A Molecular Dynamics Simulation Study by Zuzana Benková, Peter Čakánek, Maria Natália D. S. Cordeiro

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N₂O Hydrogenation on Silver Doped Gold Catalysts, a DFT Study by José L. C. Fajín, Maria Natália D. S. Cordeiro

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Moving Average-Based Multitasking In Silico Classification Modeling: Where Do We Stand and What Is Next? by Amit Kumar Halder, Ana S. Moura, Maria Natália D. S. Cordeiro

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In silico characterization of aryl benzoyl hydrazide derivatives as potential inhibitors of RdRp enzyme of H5N1 influenza virus by Abhishek Ghosh, Parthasarathi Panda, Amit Kumar Halder, Amit Kumar Halder, Maria Natalia D. S. Cordeiro

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Shaping the Future of Obesity Treatment: In Silico Multi-Modeling of IP6K1 Inhibitors for Obesity and Metabolic Dysfunction by Ismail Mondal, Amit Kumar Halder, Nirupam Pattanayak, Sudip Kumar Mandal, Maria Natalia D. S. Cordeiro

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Toxicity Assessment of the Binary Mixtures of Aquatic Organisms Based on Different Hypothetical Descriptors by Meng Ji, Lihong Zhang, Xuming Zhuang, Chunyuan Tian, Feng Luan, Maria Natália D. S. Cordeiro

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Predicting the Surface Tension of Deep Eutectic Solvents: A Step Forward in the Use of Greener Solvents by Amit Kumar Halder, Reza Haghbakhsh, Iuliia V. Voroshylova, Ana Rita C. Duarte, Maria Natalia D. S. Cordeiro

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Computational Modelling and Sustainable Synthesis of a Highly Selective Electrochemical MIP-Based Sensor for Citalopram Detection by Patrícia Rebelo, João G. Pacheco, Iuliia V. Voroshylova, Isabel Seguro, Maria Natália D. S. Cordeiro, Cristina Delerue-Matos

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In Silico Modeling and Structural Analysis of Soluble Epoxide Hydrolase Inhibitors for Enhanced Therapeutic Design by Shuvam Sar, Soumya Mitra, Parthasarathi Panda, Subhash C. Mandal, Nilanjan Ghosh, Amit Kumar Halder, Maria Natalia D. S. Cordeiro

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