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TITLE: SMILES-Based Bioactivity Descriptors to Model the Anti-dengue Virus Activity: A Case Study
AUTHORS: Mitra, S; Nandi, S; Halder, AK ; Cordeiro, MNDS ;
PUBLISHED: 2023, SOURCE: Challenges and Advances in Computational Chemistry and Physics, VOLUME: 33
INDEXED IN: Scopus CrossRef
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22
TITLE: Systematic Development of Vanadium Catalysts for Sustainable Epoxidation of Small Alkenes and Allylic Alcohols  Full Text
AUTHORS: José Ferraz-Caetano ; Teixeira, Filipe; Cordeiro, Maria Natalia Dias Soeiro ;
PUBLISHED: 2023, SOURCE: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, VOLUME: 24, ISSUE: 15
INDEXED IN: Scopus WOS CrossRef: 1 Unpaywall
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TITLE: An integrated protocol to study hydrogen abstraction reactions by atomic hydrogen in flexible molecules: application to butanol isomers  Full Text
AUTHORS: Ferro Costas, D; Cordeiro, MNDS ; Fernandez Ramos, A;
PUBLISHED: 2022, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 24, ISSUE: 5
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25
TITLE: An integrated protocol to study hydrogen abstraction reactions by atomic hydrogen in flexible molecules: application to butanol isomers (vol 24, pg 3043, 2022)  Full Text
AUTHORS: Ferro Costas, D; Cordeiro, MNDS ; Fernandez Ramos, A;
PUBLISHED: 2022, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 24, ISSUE: 7
INDEXED IN: WOS
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28
TITLE: First multi-target QSAR model for predicting the cytotoxicity of acrylic acid-based dental monomers  Full Text
AUTHORS: Halder, AK ; Delgado, AHS; Cordeiro, MNDS ;
PUBLISHED: 2022, SOURCE: DENTAL MATERIALS, VOLUME: 38, ISSUE: 2
INDEXED IN: WOS CrossRef: 8
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29
TITLE: In silico characterization of aryl benzoyl hydrazide derivatives as potential inhibitors of RdRp enzyme of H5N1 influenza virus  Full Text
AUTHORS: Ghosh, Abhishek; Panda, Parthasarathi; Halder, Amit Kumar ; Cordeiro, Maria Natalia D. S. ;
PUBLISHED: 2022, SOURCE: FRONTIERS IN PHARMACOLOGY, VOLUME: 13
INDEXED IN: Scopus WOS CrossRef: 3
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30
TITLE: Insights into the Mechanism of Methanol Steam Reforming for Hydrogen Production over Ni-Cu-Based Catalysts
AUTHORS: Fajin, JLC ; Cordeiro, MNDS ;
PUBLISHED: 2022, SOURCE: ACS CATALYSIS, VOLUME: 12, ISSUE: 1
INDEXED IN: Scopus WOS CrossRef: 26
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