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: 607
15 Team MembersFilters -> Year: 2024
101
TITLE: Importance of data curation in QSAR studies especially while modeling large-size datasets
AUTHORS: Ambure, P; Cordeiro, MNDS ;
PUBLISHED: 2020, SOURCE: Methods in Pharmacology and Toxicology, PAGES: 97-109
AUTHORS: Ambure, P; Cordeiro, MNDS ;
PUBLISHED: 2020, SOURCE: Methods in Pharmacology and Toxicology, PAGES: 97-109
102
TITLE: Interaction of Coumarin Phytoestrogens with ER alpha and ER beta: A Molecular Dynamics Simulation Study Full Text
AUTHORS: Wang, T; Wang, YF; Zhuang, XM; Luan, F; Zhao, CY; Cordeiro, MNDS ;
PUBLISHED: 2020, SOURCE: MOLECULES, VOLUME: 25, ISSUE: 5, PAGES: 1165
AUTHORS: Wang, T; Wang, YF; Zhuang, XM; Luan, F; Zhao, CY; Cordeiro, MNDS ;
PUBLISHED: 2020, SOURCE: MOLECULES, VOLUME: 25, ISSUE: 5, PAGES: 1165
103
TITLE: Is misinformation a challenge for science students in the digital era?
AUTHORS: José Ferraz-Caetano ;
PUBLISHED: 2020, SOURCE: Handbook of Research on Determining the Reliability of Online Assessment and Distance Learning, PAGES: 403-419
AUTHORS: José Ferraz-Caetano ;
PUBLISHED: 2020, SOURCE: Handbook of Research on Determining the Reliability of Online Assessment and Distance Learning, PAGES: 403-419
INDEXED IN: 
Scopus 
CrossRef
Scopus CrossRef104
TITLE: Mapping the underlying mechanisms of fibrinogen benzothiazole drug interactions using computational and experimental approaches Full Text
AUTHORS: Gonzalez Durruthy, M ; Scanavachi, G; Rial, R; Liu, Z; Cordeiro, MNDS ; Itri, R; Ruso, JM;
PUBLISHED: 2020, SOURCE: INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, VOLUME: 163, PAGES: 730-744
AUTHORS: Gonzalez Durruthy, M ; Scanavachi, G; Rial, R; Liu, Z; Cordeiro, MNDS ; Itri, R; Ruso, JM;
PUBLISHED: 2020, SOURCE: INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, VOLUME: 163, PAGES: 730-744
105
TITLE: Medical Social Networks, Epidemiology and Health Systems
AUTHORS: Gonçalves, PCT; Moura, AS ; Cordeiro, MNDS ; Campos, P ;
PUBLISHED: 2020, SOURCE: Encyclopedia of Information Science and Technology, Fifth Edition, PAGES: 1827-1838
AUTHORS: Gonçalves, PCT; Moura, AS ; Cordeiro, MNDS ; Campos, P ;
PUBLISHED: 2020, SOURCE: Encyclopedia of Information Science and Technology, Fifth Edition, PAGES: 1827-1838
INDEXED IN: Scopus CrossRef
Scopus CrossRef106
TITLE: New Computational Approaches Aimed at the Prediction of More Selective and Active Drugs
AUTHORS: Concu, R ;
PUBLISHED: 2020, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 20, ISSUE: 18, PAGES: 1581-1581
AUTHORS: Concu, R ;
PUBLISHED: 2020, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 20, ISSUE: 18, PAGES: 1581-1581
108
TITLE: On the relevance of feature selection algorithms while developing non-linear QSARs
AUTHORS: Concu, R ; Cordeiro, MNDS ;
PUBLISHED: 2020, SOURCE: Methods in Pharmacology and Toxicology, PAGES: 177-194
AUTHORS: Concu, R ; Cordeiro, MNDS ;
PUBLISHED: 2020, SOURCE: Methods in Pharmacology and Toxicology, PAGES: 177-194
109
TITLE: Probing the efficiency of platinum nanotubes for the H-2 production by water gas shift reaction: A DFT study Full Text
AUTHORS: Fajín, JLC ; D.S. Cordeiro, MN ;
PUBLISHED: 2020, SOURCE: APPLIED CATALYSIS B-ENVIRONMENTAL, VOLUME: 263, PAGES: 118301
AUTHORS: Fajín, JLC ; D.S. Cordeiro, MN ;
PUBLISHED: 2020, SOURCE: APPLIED CATALYSIS B-ENVIRONMENTAL, VOLUME: 263, PAGES: 118301
110
TITLE: PTML Multi-Label Algorithms: Models, Software, and Applications
AUTHORS: Ortega Tenezaca, B; Quevedo Tumailli, V; Bediaga, H; Collados, J; Arrasate, S; Madariaga, G; Munteanu, CR; Cordeiro, MNDS ; Gonzalez Diaz, H;
PUBLISHED: 2020, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 20, ISSUE: 25, PAGES: 2326-2337
AUTHORS: Ortega Tenezaca, B; Quevedo Tumailli, V; Bediaga, H; Collados, J; Arrasate, S; Madariaga, G; Munteanu, CR; Cordeiro, MNDS ; Gonzalez Diaz, H;
PUBLISHED: 2020, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 20, ISSUE: 25, PAGES: 2326-2337
111
TITLE: QSAR-Co-X: An Open Source Toolkit for Multi-Target QSAR Modelling
AUTHORS: Natália Dias Soeiro S Cordeiro ; Amit Kumar Halder ;
PUBLISHED: 2020
AUTHORS: Natália Dias Soeiro S Cordeiro ; Amit Kumar Halder ;
PUBLISHED: 2020
INDEXED IN: CrossRef
CrossRef112
TITLE: Rapanone, a naturally occurring benzoquinone, inhibits mitochondrial respiration and induces HepG2 cell death Full Text
AUTHORS: Gilberto L P Pardo Andreu; Felipe Zuccolotto Dos Reis; Michael Gonzalez Durruthy ; Rene Delgado Hernandez; Richard F D'Vries; Wim Vanden Berghe; Luciane C Alberici;
PUBLISHED: 2020, SOURCE: TOXICOLOGY IN VITRO, VOLUME: 63, PAGES: 104737
AUTHORS: Gilberto L P Pardo Andreu; Felipe Zuccolotto Dos Reis; Michael Gonzalez Durruthy ; Rene Delgado Hernandez; Richard F D'Vries; Wim Vanden Berghe; Luciane C Alberici;
PUBLISHED: 2020, SOURCE: TOXICOLOGY IN VITRO, VOLUME: 63, PAGES: 104737
113
TITLE: Targeting Beta-Blocker Drug-Drug Interactions with Fibrinogen Blood Plasma Protein: A Computational and Experimental Study Full Text
AUTHORS: Gonzalez Durruthy, M ; Concu, R ; Vendrame, LFO; Zanella, I; Ruso, JM; Cordeiro, MNDS ;
PUBLISHED: 2020, SOURCE: MOLECULES, VOLUME: 25, ISSUE: 22, PAGES: 5425
AUTHORS: Gonzalez Durruthy, M ; Concu, R ; Vendrame, LFO; Zanella, I; Ruso, JM; Cordeiro, MNDS ;
PUBLISHED: 2020, SOURCE: MOLECULES, VOLUME: 25, ISSUE: 22, PAGES: 5425
114
TITLE: The Biofilms Structural Database Full Text
AUTHORS: Rita P Magalhaes; Tatiana F Vieira; Henrique S Fernandes ; Andre Melo ; Manuel Simoes; Sérgio F. Sousa ;
PUBLISHED: 2020, SOURCE: TRENDS IN BIOTECHNOLOGY, VOLUME: 38, ISSUE: 9, PAGES: 937-940
AUTHORS: Rita P Magalhaes; Tatiana F Vieira; Henrique S Fernandes ; Andre Melo ; Manuel Simoes; Sérgio F. Sousa ;
PUBLISHED: 2020, SOURCE: TRENDS IN BIOTECHNOLOGY, VOLUME: 38, ISSUE: 9, PAGES: 937-940
115
TITLE: Theoretical insights on helix repacking as the origin of P-glycoprotein promiscuity Full Text
AUTHORS: Bonito, CA; Ferreira, RJ; Ferreira, MJU; Gillet, JP; Cordeiro, MNDS ; dos Santos, DJVA;
PUBLISHED: 2020, SOURCE: SCIENTIFIC REPORTS, VOLUME: 10, ISSUE: 1
AUTHORS: Bonito, CA; Ferreira, RJ; Ferreira, MJU; Gillet, JP; Cordeiro, MNDS ; dos Santos, DJVA;
PUBLISHED: 2020, SOURCE: SCIENTIFIC REPORTS, VOLUME: 10, ISSUE: 1
116
TITLE: Understanding the Binding Specificity of G-Protein Coupled Receptors toward G-Proteins and Arrestins: Application to the Dopamine Receptor Family Full Text
AUTHORS: Preto, AJ; Barreto, CAV; Baptista, SJ; de Almeida, JG; Lemos, A; Melo, A ; Cordeiro, MNDS ; Kurkcuoglu, Z; Melo, R; Moreira, IS;
PUBLISHED: 2020, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 60, ISSUE: 8, PAGES: 3969-3984
AUTHORS: Preto, AJ; Barreto, CAV; Baptista, SJ; de Almeida, JG; Lemos, A; Melo, A ; Cordeiro, MNDS ; Kurkcuoglu, Z; Melo, R; Moreira, IS;
PUBLISHED: 2020, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 60, ISSUE: 8, PAGES: 3969-3984
117
TITLE: Advanced chemometric modeling approaches for the design of multitarget drugs against neurodegenerative diseases
AUTHORS: Halder, AK ; Moura, AS ; Cordeiro, MNDS ;
PUBLISHED: 2019, SOURCE: Methods in Pharmacology and Toxicology, PAGES: 155-186
AUTHORS: Halder, AK ; Moura, AS ; Cordeiro, MNDS ;
PUBLISHED: 2019, SOURCE: Methods in Pharmacology and Toxicology, PAGES: 155-186
118
TITLE: Alignment-Free Method to Predict Enzyme Classes and Subclasses Full Text
AUTHORS: Riccardo Concu ; Natalia N D S Cordeiro ;
PUBLISHED: 2019, SOURCE: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, VOLUME: 20, ISSUE: 21, PAGES: 5389
AUTHORS: Riccardo Concu ; Natalia N D S Cordeiro ;
PUBLISHED: 2019, SOURCE: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, VOLUME: 20, ISSUE: 21, PAGES: 5389
119
TITLE: António Ferreira da Silva and the Teaching of Chemistry at the Academia Politécnica do Porto (1877–1910) Full Text
AUTHORS: José Ferraz-Caetano ; João Paiva; Francisco Malta Romeiras;
PUBLISHED: 2019, SOURCE: História da Ciência e Ensino: construindo interfaces, VOLUME: 20, PAGES: 213-221
AUTHORS: José Ferraz-Caetano ; João Paiva; Francisco Malta Romeiras;
PUBLISHED: 2019, SOURCE: História da Ciência e Ensino: construindo interfaces, VOLUME: 20, PAGES: 213-221
120
TITLE: CompScore: Boosting Structure-Based Virtual Screening Performance by Incorporating Docking Scoring Function Components into Consensus Scoring Full Text
AUTHORS: Yunierkis Perez Castillo; Stellamaris Sotomayor Burneo; Karina Jimenes Vargas; Mario Gonzalez Rodriguez; Maykel Cruz Monteagudo; Vinicio Armijos Jaramillo; Natalia N D S Cordeiro ; Fernanda Borges ; Aminael Sanchez Rodriguez; Eduardo Tejera;
PUBLISHED: 2019, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 59, ISSUE: 9, PAGES: 3655-3666
AUTHORS: Yunierkis Perez Castillo; Stellamaris Sotomayor Burneo; Karina Jimenes Vargas; Mario Gonzalez Rodriguez; Maykel Cruz Monteagudo; Vinicio Armijos Jaramillo; Natalia N D S Cordeiro ; Fernanda Borges ; Aminael Sanchez Rodriguez; Eduardo Tejera;
PUBLISHED: 2019, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 59, ISSUE: 9, PAGES: 3655-3666
INDEXED IN: Scopus 
WOS
Scopus WOS