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TITLE: Toxicity Assessment of the Binary Mixtures of Aquatic Organisms Based on Different Hypothetical Descriptors  Full Text
AUTHORS: Ji, Meng; Zhang, Lihong; Zhuang, Xuming; Tian, Chunyuan; Luan, Feng; Cordeiro, Maria Natalia D. S. ;
PUBLISHED: 2022, SOURCE: MOLECULES, VOLUME: 27, ISSUE: 19
INDEXED IN: Scopus WOS CrossRef: 1
IN MY: ORCID
32
TITLE: Turning deep-eutectic solvents into value-added products for CO2 capture: A desirability-based virtual screening study  Full Text
AUTHORS: Ambure, Pravin; Perez Castillo, Yunierkis; Halder, Amit Kumar; Cordeiro, M. Natalia D. S. ;
PUBLISHED: 2022, SOURCE: JOURNAL OF CO2 UTILIZATION, VOLUME: 58
INDEXED IN: WOS
IN MY: ORCID
33
TITLE: Turning deep-eutectic solvents into value-added products for CO2 capture: A desirability-based virtual screening study  Full Text
AUTHORS: Halder, AK ; Ambure, P; Perez Castillo, Y; Cordeiro, MNDS ;
PUBLISHED: 2022, SOURCE: Journal of CO2 Utilization, VOLUME: 58
INDEXED IN: Scopus CrossRef: 19
IN MY: ORCID
34
TITLE: AKT Inhibitors: The Road Ahead to Computational Modeling-Guided Discovery  Full Text
AUTHORS: Halder, AK ; Cordeiro, MNDS ;
PUBLISHED: 2021, SOURCE: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, VOLUME: 22, ISSUE: 8
INDEXED IN: Scopus WOS CrossRef: 12
IN MY: ORCID
35
TITLE: Chapter 11: Supported Vanadium Catalysts: Heterogeneous Molecular Complexes, Electrocatalysis and Biomass Transformation
AUTHORS: cristina freire ; Clara Pereira ; Jarrais, B; Fernandes, D ; Andreia F. Peixoto ; Cordeiro, N ; Teixeira, F ;
PUBLISHED: 2021, SOURCE: RSC Catalysis Series, VOLUME: 2021-January, ISSUE: 41
INDEXED IN: Scopus CrossRef
IN MY: ORCID
36
TITLE: Chemometric Modeling of Daphnia Toxicity
AUTHORS: Halder, AK ; Cordeiro, MNDS ;
PUBLISHED: 2021, SOURCE: Chemometrics and Cheminformatics in Aquatic Toxicology
INDEXED IN: Scopus CrossRef
IN MY: ORCID
37
TITLE: Density of Deep Eutectic Solvents: The Path Forward Cheminformatics-Driven Reliable Predictions for Mixtures  Full Text
AUTHORS: Halder, AK ; Haghbakhsh, R; Voroshylova, IV ; Duarte, ARC; Cordeiro, MNDS ;
PUBLISHED: 2021, SOURCE: MOLECULES, VOLUME: 26, ISSUE: 19
INDEXED IN: Scopus WOS CrossRef: 20
IN MY: ORCID
39
TITLE: Exploring the conformational binding mechanism of fibrinogen induced by interactions with penicillin beta-lactam antibiotic drugs  Full Text
AUTHORS: Gonzalez Durruthy, M ; Rial, R; Cordeiro, MNDS ; Liu, Z; Ruso, JM;
PUBLISHED: 2021, SOURCE: JOURNAL OF MOLECULAR LIQUIDS, VOLUME: 324
INDEXED IN: Scopus WOS CrossRef: 12
IN MY: ORCID
40
TITLE: First-principles-based kinetic Monte Carlo simulations of CO oxidation on catalytic Au(110) and Ag(110) surfaces
AUTHORS: Fajín, JLC ; Moura, AS; Cordeiro, MNDS ;
PUBLISHED: 2021, SOURCE: Physical Chemistry Chemical Physics, VOLUME: 23, ISSUE: 25
INDEXED IN: Scopus CrossRef: 7
IN MY: ORCID
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