Quimat - Cheminformatics and Materials (Quimat)
AuthID: I-000-BCW
Publications Actions
Publications at Authenticus Institutional Profile
An Authenticus institution (group) is an organization which consists of a set of researchers (institutional/group team). The set of researchers depends on the organizational structure of the institution per year and can be set at the institution profile, under ‘Researchers’ interface. Based on the institutional team we produce listings of publications, statistics and institutional reports.
Publications displayed at an Authenticus institutional profile depend on two parameters:
- Researchers team associated with the institution per year.
- Publications source type.
We define 3 types of publication sources:
- Validated by team members - includes all publications validated by team members. Requires the definition of the institutional team.
- All published by team members - includes all publications validated by the institution team members plus all not-validated (only identified) publications. Requires the definition of the institutional team.
- Affiliation Based - includes publications that have the institution/group in the publication affiliation. Does not require institutional team, but at the same time does not guarantee that all publications will be listed.
External
Internal
No data about last update.
Rules:
This actions updates publications citations of every team member.
Only validated by team members publications are included.
Only the current year team is included in this action.>
The action is executed in the background, thus the results are NOT immediate.
This actions can be executed only once a month!
Only validated by team members publications are included.
Only the current year team is included in this action.>
The action is executed in the background, thus the results are NOT immediate.
This actions can be executed only once a month!
No data about last update.
Rules:
This actions updates all pre print publications of the group/institution.
Only validated by current year team members publications are included.
The action is executed in the background, thus the results are NOT immediate.
This actions can be executed only once a day!
Only validated by current year team members publications are included.
The action is executed in the background, thus the results are NOT immediate.
This actions can be executed only once a day!
Publications Count: 643
15 Team MembersFilters -> Year: 2025
101
TITLE: First-principles-based kinetic Monte Carlo simulations of CO oxidation on catalytic Au(110) and Ag(110) surfaces Full Text
AUTHORS: Fajin, JLC ; Moura, AS ; Cordeiro, MNDS ;
PUBLISHED: 2021, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 23, ISSUE: 25, PAGES: 14037-14050
AUTHORS: Fajin, JLC ; Moura, AS ; Cordeiro, MNDS ;
PUBLISHED: 2021, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 23, ISSUE: 25, PAGES: 14037-14050
102
TITLE: Heavy metal ion separation from industrial wastewater using stacked graphene Membranes: A molecular dynamics simulation study Full Text
AUTHORS: Giri, AK; Cordeiro, MNDS ;
PUBLISHED: 2021, SOURCE: JOURNAL OF MOLECULAR LIQUIDS, VOLUME: 338, PAGES: 116688
AUTHORS: Giri, AK; Cordeiro, MNDS ;
PUBLISHED: 2021, SOURCE: JOURNAL OF MOLECULAR LIQUIDS, VOLUME: 338, PAGES: 116688
103
TITLE: Identification of New Potential Inhibitors of Quorum Sensing through a Specialized Multi-Level Computational Approach Full Text
AUTHORS: Martins, FG; Melo, A ; Sérgio F. Sousa ;
PUBLISHED: 2021, SOURCE: MOLECULES, VOLUME: 26, ISSUE: 9, PAGES: 2600
AUTHORS: Martins, FG; Melo, A ; Sérgio F. Sousa ;
PUBLISHED: 2021, SOURCE: MOLECULES, VOLUME: 26, ISSUE: 9, PAGES: 2600
104
TITLE: Insights into the catalytic activity of trimetallic Al/Zn/Cu surfaces for the water gas shift reaction Full Text
AUTHORS: Fajin, JLC ; Cordeiro, MNDS ;
PUBLISHED: 2021, SOURCE: APPLIED SURFACE SCIENCE, VOLUME: 542, PAGES: 148589
AUTHORS: Fajin, JLC ; Cordeiro, MNDS ;
PUBLISHED: 2021, SOURCE: APPLIED SURFACE SCIENCE, VOLUME: 542, PAGES: 148589
105
TITLE: Ionic liquid-metal interface: The origins of capacitance peaks Full Text
AUTHORS: Voroshylova, IV ; Ers, H; Koverga, V; Docampo Alvarez, B; Pikma, P; Ivanistsev, VB; Cordeiro, MNDS ;
PUBLISHED: 2021, SOURCE: ELECTROCHIMICA ACTA, VOLUME: 379, PAGES: 138148
AUTHORS: Voroshylova, IV ; Ers, H; Koverga, V; Docampo Alvarez, B; Pikma, P; Ivanistsev, VB; Cordeiro, MNDS ;
PUBLISHED: 2021, SOURCE: ELECTROCHIMICA ACTA, VOLUME: 379, PAGES: 138148
106
TITLE: Light alcohols reforming towards renewable hydrogen production on multicomponent catalysts Full Text
AUTHORS: Fajin, JLC ; Cordeiro, MNDS ;
PUBLISHED: 2021, SOURCE: RENEWABLE & SUSTAINABLE ENERGY REVIEWS, VOLUME: 138, PAGES: 110523
AUTHORS: Fajin, JLC ; Cordeiro, MNDS ;
PUBLISHED: 2021, SOURCE: RENEWABLE & SUSTAINABLE ENERGY REVIEWS, VOLUME: 138, PAGES: 110523
107
TITLE: Metabolomics, Transcriptomics and Functional Glycomics Reveals Bladder Cancer Cells Plasticity and Enhanced Aggressiveness Facing Hypoxia and Glucose Deprivation
AUTHORS: Andreia Peixoto; Rui Freitas; Dylan Ferreira; Marta Relvas-Santos; Paula Paulo; Marta Cardoso; Janine Soares; Cristiana Gaiteiro; Carlos Palmeira; Filipe Teixeira; Rita Ferreira; Maria José Oliveira; Silva, AMN ; Lúcio Lara Santos; José Alexandre Ferreira;
PUBLISHED: 2021
AUTHORS: Andreia Peixoto; Rui Freitas; Dylan Ferreira; Marta Relvas-Santos; Paula Paulo; Marta Cardoso; Janine Soares; Cristiana Gaiteiro; Carlos Palmeira; Filipe Teixeira; Rita Ferreira; Maria José Oliveira; Silva, AMN ; Lúcio Lara Santos; José Alexandre Ferreira;
PUBLISHED: 2021
108
TITLE: Molecular dynamic study of alcohol-based deep eutectic solvents
AUTHORS: Ferreira, ESC ; Voroshylova, IV ; Nádia M. Figueiredo; Cordeiro, MNDS ;
PUBLISHED: 2021, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 155, ISSUE: 6, PAGES: 1ENG
AUTHORS: Ferreira, ESC ; Voroshylova, IV ; Nádia M. Figueiredo; Cordeiro, MNDS ;
PUBLISHED: 2021, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 155, ISSUE: 6, PAGES: 1ENG
109
TITLE: Molecularly imprinted polymer-based electrochemical sensors for environmental analysis Full Text
AUTHORS: Rebelo, P; Costa Rama, E; Seguro, I; Pacheco, JG; Nouws, HPA ; Cordeiro, MNDS ; Delerue Matos, C ;
PUBLISHED: 2021, SOURCE: BIOSENSORS & BIOELECTRONICS, VOLUME: 172, PAGES: 112719
AUTHORS: Rebelo, P; Costa Rama, E; Seguro, I; Pacheco, JG; Nouws, HPA ; Cordeiro, MNDS ; Delerue Matos, C ;
PUBLISHED: 2021, SOURCE: BIOSENSORS & BIOELECTRONICS, VOLUME: 172, PAGES: 112719
110
TITLE: Multi-Target In Silico Prediction of Inhibitors for Mitogen-Activated Protein Kinase-Interacting Kinases Full Text
AUTHORS: Halder, Amit Kumar ; Cordeiro, M. Natalia D. S. ;
PUBLISHED: 2021, SOURCE: BIOMOLECULES, VOLUME: 11, ISSUE: 11, PAGES: 1670
AUTHORS: Halder, Amit Kumar ; Cordeiro, M. Natalia D. S. ;
PUBLISHED: 2021, SOURCE: BIOMOLECULES, VOLUME: 11, ISSUE: 11, PAGES: 1670
111
TITLE: Nanomarker for Early Detection of Alzheimer’s Disease Combining Ab initio DFT Simulations and Molecular Docking Approach
AUTHORS: Patricia Ferreira Schopf; Ivana Zanella; Natália N D. S. Cordeiro ; Juan M Ruso; Michael González-Durruthy ; Mirkos Ortiz Martins;
PUBLISHED: 2021, SOURCE: Biophysica, VOLUME: 1, ISSUE: 2, PAGES: 76-86
AUTHORS: Patricia Ferreira Schopf; Ivana Zanella; Natália N D. S. Cordeiro ; Juan M Ruso; Michael González-Durruthy ; Mirkos Ortiz Martins;
PUBLISHED: 2021, SOURCE: Biophysica, VOLUME: 1, ISSUE: 2, PAGES: 76-86
112
TITLE: New Mechanistic Insights on Carbon Nanotubes' Nanotoxicity Using Isolated Submitochondrial Particles, Molecular Docking, and Nano-QSTR Approaches
AUTHORS: Gonzalez Durruthy, M ; Concu, R ; Ruso, JM; Cordeiro, MNDS ;
PUBLISHED: 2021, SOURCE: BIOLOGY-BASEL, VOLUME: 10, ISSUE: 3, PAGES: 171
AUTHORS: Gonzalez Durruthy, M ; Concu, R ; Ruso, JM; Cordeiro, MNDS ;
PUBLISHED: 2021, SOURCE: BIOLOGY-BASEL, VOLUME: 10, ISSUE: 3, PAGES: 171
113
TITLE: QSAR-Co-X: an open source toolkit for multitarget QSAR modelling Full Text
AUTHORS: Halder, AK ; Cordeiro, MNDS ;
PUBLISHED: 2021, SOURCE: JOURNAL OF CHEMINFORMATICS, VOLUME: 13, ISSUE: 1
AUTHORS: Halder, AK ; Cordeiro, MNDS ;
PUBLISHED: 2021, SOURCE: JOURNAL OF CHEMINFORMATICS, VOLUME: 13, ISSUE: 1
114
TITLE: Rational development of molecular imprinted carbon paste electrode for Furazolidone detection: theoretical and experimental approach Full Text
AUTHORS: Rebelo, P; Pacheco, JG; Voroshylova, IV ; Melo, A ; Cordeiro, MNDS ; Delerue Matos, C ;
PUBLISHED: 2021, SOURCE: SENSORS AND ACTUATORS B-CHEMICAL, VOLUME: 329, PAGES: 129112
AUTHORS: Rebelo, P; Pacheco, JG; Voroshylova, IV ; Melo, A ; Cordeiro, MNDS ; Delerue Matos, C ;
PUBLISHED: 2021, SOURCE: SENSORS AND ACTUATORS B-CHEMICAL, VOLUME: 329, PAGES: 129112
115
TITLE: Structural behavior of monomer of SARS-CoV-2 spike protein during initial stage of adsorption on graphene
AUTHORS: Benkova, Z; Cordeiro, MNDS ;
PUBLISHED: 2021, SOURCE: MATERIALS TODAY CHEMISTRY, VOLUME: 22, PAGES: 100572
AUTHORS: Benkova, Z; Cordeiro, MNDS ;
PUBLISHED: 2021, SOURCE: MATERIALS TODAY CHEMISTRY, VOLUME: 22, PAGES: 100572
116
TITLE: Structure and noncovalent interactions in ionic liquids mixtures and deep eutectic solvents
AUTHORS: Iuliia V Voroshylova ; Elisabete S.C Ferreira ; Volodymyr A Koverga; Carlos M Pereira ; Natália D.S D Cordeiro ;
PUBLISHED: 2021, SOURCE: Theoretical and Computational Approaches to Predicting Ionic Liquid Properties, PAGES: 105-157
AUTHORS: Iuliia V Voroshylova ; Elisabete S.C Ferreira ; Volodymyr A Koverga; Carlos M Pereira ; Natália D.S D Cordeiro ;
PUBLISHED: 2021, SOURCE: Theoretical and Computational Approaches to Predicting Ionic Liquid Properties, PAGES: 105-157
117
TITLE: TMtopo Dataset — Quantum Geometries and Density Topology for 1.1k Transition Metal Complexes
AUTHORS: Filipe Teixeira ; Edgar Silva-Santos; Natália N D. S. Cordeiro;
PUBLISHED: 2021
AUTHORS: Filipe Teixeira ; Edgar Silva-Santos; Natália N D. S. Cordeiro;
PUBLISHED: 2021
INDEXED IN: 
CrossRef
CrossRef118
TITLE: Towards Digital Laboratories. Transition Challenges of an Undergraduate Chemistry Laboratory Curricula
AUTHORS: José Ferraz-Caetano ;
PUBLISHED: 2021, SOURCE: Handbook of Research on Inequities in Online Education During Global Crises - Advances in Mobile and Distance Learning, PAGES: 464-474
AUTHORS: José Ferraz-Caetano ;
PUBLISHED: 2021, SOURCE: Handbook of Research on Inequities in Online Education During Global Crises - Advances in Mobile and Distance Learning, PAGES: 464-474
INDEXED IN: CrossRef
CrossRef119
TITLE: Unraveling the Compositional and Molecular Features Involved in Lysozyme-Benzothiazole Derivative Interactions Full Text
AUTHORS: Rial, R; Gonzalez Durruthy, M ; Somoza, M; Liu, Z; Ruso, JM;
PUBLISHED: 2021, SOURCE: MOLECULES, VOLUME: 26, ISSUE: 19
AUTHORS: Rial, R; Gonzalez Durruthy, M ; Somoza, M; Liu, Z; Ruso, JM;
PUBLISHED: 2021, SOURCE: MOLECULES, VOLUME: 26, ISSUE: 19
INDEXED IN: 
Scopus 
WOS
Scopus WOS120
TITLE: Unravelling the Interactions of Magnetic Ionic Liquids by Energy Decomposition Schemes: Towards a Transferable Polarizable Force Field Full Text
AUTHORS: Gonzalez Veloso, I; Nádia M. Figueiredo; Cordeiro, MNDS ;
PUBLISHED: 2021, SOURCE: MOLECULES, VOLUME: 26, ISSUE: 18, PAGES: 5526
AUTHORS: Gonzalez Veloso, I; Nádia M. Figueiredo; Cordeiro, MNDS ;
PUBLISHED: 2021, SOURCE: MOLECULES, VOLUME: 26, ISSUE: 18, PAGES: 5526
