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: 654
15 Team MembersFilters -> Year: 2026
121
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
122
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
123
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
124
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
125
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
126
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
127
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
128
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
129
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
130
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
CrossRef131
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
CrossRef132
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, PAGES: 5855
AUTHORS: Rial, R; Gonzalez Durruthy, M ; Somoza, M; Liu, Z; Ruso, JM;
PUBLISHED: 2021, SOURCE: MOLECULES, VOLUME: 26, ISSUE: 19, PAGES: 5855
133
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
134
TITLE: A unified in silico model based on perturbation theory for assessing the genotoxicity of metal oxide nanoparticles Full Text
AUTHORS: Amit Kumar Halder ; Andre Melo ; Natalia N D S Cordeiro ;
PUBLISHED: 2020, SOURCE: CHEMOSPHERE, VOLUME: 244, PAGES: 125489
AUTHORS: Amit Kumar Halder ; Andre Melo ; Natalia N D S Cordeiro ;
PUBLISHED: 2020, SOURCE: CHEMOSPHERE, VOLUME: 244, PAGES: 125489
135
TITLE: Advanced in Silico Methods for the Development of Anti-Leishmaniasis and Anti-Trypanosomiasis Agents
AUTHORS: Halder, AK ; Cordeiro, MNDS ;
PUBLISHED: 2020, SOURCE: CURRENT MEDICINAL CHEMISTRY, VOLUME: 27, ISSUE: 5, PAGES: 697-718
AUTHORS: Halder, AK ; Cordeiro, MNDS ;
PUBLISHED: 2020, SOURCE: CURRENT MEDICINAL CHEMISTRY, VOLUME: 27, ISSUE: 5, PAGES: 697-718
136
TITLE: Azithromycin electrochemical detection using a molecularly imprinted polymer prepared on a disposable screen-printed electrode Full Text
AUTHORS: Patricia Rebelo; Joao G Pacheco; Natalia N D S Cordeiro ; Andre Melo ; Cristina Delerue Matos ;
PUBLISHED: 2020, SOURCE: ANALYTICAL METHODS, VOLUME: 12, ISSUE: 11, PAGES: 1486-1494
AUTHORS: Patricia Rebelo; Joao G Pacheco; Natalia N D S Cordeiro ; Andre Melo ; Cristina Delerue Matos ;
PUBLISHED: 2020, SOURCE: ANALYTICAL METHODS, VOLUME: 12, ISSUE: 11, PAGES: 1486-1494
137
TITLE: Computational and experimental study of propeline: A choline chloride based deep eutectic solvent Full Text
AUTHORS: Elisabete S C Ferreira ; Iuliia V Voroshylova ; Nádia M. Figueiredo ; Carlos M Pereira ; Natalia N D S Cordeiro ;
PUBLISHED: 2020, SOURCE: JOURNAL OF MOLECULAR LIQUIDS, VOLUME: 298, PAGES: 111978
AUTHORS: Elisabete S C Ferreira ; Iuliia V Voroshylova ; Nádia M. Figueiredo ; Carlos M Pereira ; Natalia N D S Cordeiro ;
PUBLISHED: 2020, SOURCE: JOURNAL OF MOLECULAR LIQUIDS, VOLUME: 298, PAGES: 111978
138
TITLE: Computational Modeling of Environmental Co-exposure on Oil-Derived Hydrocarbon Overload by Using Substrate-Specific Transport Protein (TodX) with Graphene Nanostructures
AUTHORS: de Oliveira, PV; Goulart, L; dos Santos, CL; Rossato, J; Fagan, SB; Zanella, I; Cordeiro, MNDS ; Ruso, JM; Gonzalez Durruthy, M ;
PUBLISHED: 2020, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 20, ISSUE: 25, PAGES: 2308-2325
AUTHORS: de Oliveira, PV; Goulart, L; dos Santos, CL; Rossato, J; Fagan, SB; Zanella, I; Cordeiro, MNDS ; Ruso, JM; Gonzalez Durruthy, M ;
PUBLISHED: 2020, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 20, ISSUE: 25, PAGES: 2308-2325
139
TITLE: Computational modeling on mitochondrial channel nanotoxicity Full Text
AUTHORS: Michael Gonzalez Durruthy ; Amal Kanta Giri; Irina Moreira; Riccardo Concu ; Andre Melo ; Juan M Ruso; Natalia N D S Cordeiro ;
PUBLISHED: 2020, SOURCE: NANO TODAY, VOLUME: 34, PAGES: 100913
AUTHORS: Michael Gonzalez Durruthy ; Amal Kanta Giri; Irina Moreira; Riccardo Concu ; Andre Melo ; Juan M Ruso; Natalia N D S Cordeiro ;
PUBLISHED: 2020, SOURCE: NANO TODAY, VOLUME: 34, PAGES: 100913
140
TITLE: Covalent Functionalization of Graphene with PAMAM Dendrimer and Its Implications on Graphene's Dispersion and Cytotoxicity
AUTHORS: Gosika, M; Velachi, V; Cordeiro, MNDS ; Maiti, PK;
PUBLISHED: 2020, SOURCE: ACS APPLIED POLYMER MATERIALS, VOLUME: 2, ISSUE: 8, PAGES: 3587-3600
AUTHORS: Gosika, M; Velachi, V; Cordeiro, MNDS ; Maiti, PK;
PUBLISHED: 2020, SOURCE: ACS APPLIED POLYMER MATERIALS, VOLUME: 2, ISSUE: 8, PAGES: 3587-3600
