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: 623
15 Team MembersFilters -> Year: 2025
121
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 CrossRef122
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
124
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
125
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
126
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
127
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
CrossRef128
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
129
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
130
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
131
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
132
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
133
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
134
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
135
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
136
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 WOS137
TITLE: CompScore: boosting structure-based virtual screening performance by incorporating docking scoring functions components into consensus scoring
AUTHORS: Yunierkis Perez-Castillo; Stellamaris Sotomayor-Burneo; Karina Jimenes-Vargas; Mario Gonzalez-Rodriguez; Maykel Cruz-Monteagudo; Vinicio Armijos-Jaramillo; Natália N D S Cordeiro ; Fernanda Borges ; Aminael Sánchez-Rodríguez; Eduardo Tejera;
PUBLISHED: 2019
AUTHORS: Yunierkis Perez-Castillo; Stellamaris Sotomayor-Burneo; Karina Jimenes-Vargas; Mario Gonzalez-Rodriguez; Maykel Cruz-Monteagudo; Vinicio Armijos-Jaramillo; Natália N D S Cordeiro ; Fernanda Borges ; Aminael Sánchez-Rodríguez; Eduardo Tejera;
PUBLISHED: 2019
138
TITLE: Computational MitoTarget Scanning Based on Topological Vacancies of Single-Walled Carbon Nanotubes with the Human Mitochondrial Voltage-Dependent Anion Channel (hVDAC1) Full Text
AUTHORS: Michael Gonzalez Durruthy ; Jose M Monserrat; Patricia Viera de Oliveira; Solange Binotto Fagan; Adriano V Werhli; Karina Machado; Andre Melo ; Humberto Gonzalez Diaz; Riccardo Concu ; Natalia N D S Cordeiro ;
PUBLISHED: 2019, SOURCE: CHEMICAL RESEARCH IN TOXICOLOGY, VOLUME: 32, ISSUE: 4, PAGES: 566-577
AUTHORS: Michael Gonzalez Durruthy ; Jose M Monserrat; Patricia Viera de Oliveira; Solange Binotto Fagan; Adriano V Werhli; Karina Machado; Andre Melo ; Humberto Gonzalez Diaz; Riccardo Concu ; Natalia N D S Cordeiro ;
PUBLISHED: 2019, SOURCE: CHEMICAL RESEARCH IN TOXICOLOGY, VOLUME: 32, ISSUE: 4, PAGES: 566-577
139
TITLE: Development of Multi-Target Chemometric Models for the Inhibition of Class I PI3K Enzyme Isoforms: A Case Study Using QSAR-Co Tool Full Text
AUTHORS: Halder, AK ; Cordeiro, MNDS ;
PUBLISHED: 2019, SOURCE: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, VOLUME: 20, ISSUE: 17, PAGES: 4191
AUTHORS: Halder, AK ; Cordeiro, MNDS ;
PUBLISHED: 2019, SOURCE: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, VOLUME: 20, ISSUE: 17, PAGES: 4191
140
TITLE: Distance Angle Descriptors of the Interionic and Ion-Solvent Interactions in Imidazolium-Based Ionic Liquid Mixtures with Aprotic Solvents: A Molecular Dynamics Simulation Study
AUTHORS: Koverga, VA; Smortsova, Y; Miannay, FA; Kalugin, ON; Takamuku, T; Jedlovszky, P; Marekha, B; Cordeiro, MNDS ; Idrissi, A;
PUBLISHED: 2019, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 123, ISSUE: 28, PAGES: 6065-6075
AUTHORS: Koverga, VA; Smortsova, Y; Miannay, FA; Kalugin, ON; Takamuku, T; Jedlovszky, P; Marekha, B; Cordeiro, MNDS ; Idrissi, A;
PUBLISHED: 2019, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 123, ISSUE: 28, PAGES: 6065-6075
