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
361
TITLE: Editorial (Thematic Issue: Chemoinformatics in Metabolomics, From Molecular Mechanics, Dynamics, and Docking to Complex Metabolic Networks, Part 2)
AUTHORS: Humberto Gonzalez-Diaz; Alejandro Speck-Planche; Maria Cordeiro ;
PUBLISHED: 2014, SOURCE: Current Drug Metabolism, VOLUME: 15, ISSUE: 5, PAGES: 489-489
AUTHORS: Humberto Gonzalez-Diaz; Alejandro Speck-Planche; Maria Cordeiro ;
PUBLISHED: 2014, SOURCE: Current Drug Metabolism, VOLUME: 15, ISSUE: 5, PAGES: 489-489
362
TITLE: Editorial (Thematic Issue: Chemoinformatics in Metabolomics, Modeling Chemical Reactivity and ADMET Processes Part 1)
AUTHORS: Humberto González-Díaz; Alejandro Speck-Planche; Maria Dias Soeiro Cordeiro ;
PUBLISHED: 2014, SOURCE: Current Drug Metabolism, VOLUME: 15, ISSUE: 4, PAGES: 345-345
AUTHORS: Humberto González-Díaz; Alejandro Speck-Planche; Maria Dias Soeiro Cordeiro ;
PUBLISHED: 2014, SOURCE: Current Drug Metabolism, VOLUME: 15, ISSUE: 4, PAGES: 345-345
INDEXED IN: 
CrossRef
CrossRef363
TITLE: Effects of Axial Coordination on Immobilized Mn(salen) Catalysts
AUTHORS: Filipe Teixeira ; Ricardo A Mosquera; Andre Melo ; cristina freire ; Natalia N D S Cordeiro ;
PUBLISHED: 2014, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 118, ISSUE: 45, PAGES: 10788-10796
AUTHORS: Filipe Teixeira ; Ricardo A Mosquera; Andre Melo ; cristina freire ; Natalia N D S Cordeiro ;
PUBLISHED: 2014, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 118, ISSUE: 45, PAGES: 10788-10796
364
TITLE: Generalized Bronsted-Evans-Polanyi relationships and descriptors for O-H bond cleavage of organic molecules on transition metal surfaces Full Text
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Francesc Illas; Jose R B Gomes;
PUBLISHED: 2014, SOURCE: JOURNAL OF CATALYSIS, VOLUME: 313, PAGES: 24-33
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Francesc Illas; Jose R B Gomes;
PUBLISHED: 2014, SOURCE: JOURNAL OF CATALYSIS, VOLUME: 313, PAGES: 24-33
365
TITLE: How reliable is the ReaxFF potential for describing the structure of alkanethiols on gold? A molecular dynamics study
AUTHORS: Velachi Vasumathi; José Luis Cagide Fajin ; Maria Natália Dias Soeiro Cordeiro ;
PUBLISHED: 2014, SOURCE: International Journal of Modeling, Simulation, and Scientific Computing, VOLUME: 5, ISSUE: supp01, PAGES: 1441011
AUTHORS: Velachi Vasumathi; José Luis Cagide Fajin ; Maria Natália Dias Soeiro Cordeiro ;
PUBLISHED: 2014, SOURCE: International Journal of Modeling, Simulation, and Scientific Computing, VOLUME: 5, ISSUE: supp01, PAGES: 1441011
366
TITLE: How reliable is the ReaxFF Potential for Describing the Structure of Alkanethiols on Gold? A Molecular Dynamics Study Full Text
AUTHORS: Vasumathi, V; Maria Natalia D S Cordeiro ;
PUBLISHED: 2014, SOURCE: 2nd International Conference on Mathematical Modeling in Physical Sciences (IC-MSQUARE) in 2ND INTERNATIONAL CONFERENCE ON MATHEMATICAL MODELING IN PHYSICAL SCIENCES 2013 (IC-MSQUARE 2013), VOLUME: 490, ISSUE: 1, PAGES: 012006
AUTHORS: Vasumathi, V; Maria Natalia D S Cordeiro ;
PUBLISHED: 2014, SOURCE: 2nd International Conference on Mathematical Modeling in Physical Sciences (IC-MSQUARE) in 2ND INTERNATIONAL CONFERENCE ON MATHEMATICAL MODELING IN PHYSICAL SCIENCES 2013 (IC-MSQUARE 2013), VOLUME: 490, ISSUE: 1, PAGES: 012006
367
TITLE: Interaction of Anions with Substituted Buckybowls. The Anion’s Nature and Solvent Effects
AUTHORS: Alba Campo-Cacharrón; Enrique M Cabaleiro-Lago; Iván González-Veloso ; Jesús Rodríguez-Otero;
PUBLISHED: 2014, SOURCE: The Journal of Physical Chemistry A, VOLUME: 118, ISSUE: 31, PAGES: 6112-6124
AUTHORS: Alba Campo-Cacharrón; Enrique M Cabaleiro-Lago; Iván González-Veloso ; Jesús Rodríguez-Otero;
PUBLISHED: 2014, SOURCE: The Journal of Physical Chemistry A, VOLUME: 118, ISSUE: 31, PAGES: 6112-6124
368
TITLE: JM-20, a novel benzodiazepine-dihydropyridine hybrid molecule, protects mitochondria and prevents ischemic insult-mediated neural cell death in vitro Full Text
AUTHORS: Nuñez Figueredo, Y; Ramírez Sánchez, J; Delgado Hernández, R; Porto Verdecia, M; Ochoa Rodríguez, E; Verdecia Reyes, Y; Marin Prida, J; González Durruthy, M ; Uyemura, SA; Rodrigues, FP; Curti, C; Souza, DO; Pardo Andreu, GL;
PUBLISHED: 2014, SOURCE: European Journal of Pharmacology, VOLUME: 726, ISSUE: 1, PAGES: 57-65
AUTHORS: Nuñez Figueredo, Y; Ramírez Sánchez, J; Delgado Hernández, R; Porto Verdecia, M; Ochoa Rodríguez, E; Verdecia Reyes, Y; Marin Prida, J; González Durruthy, M ; Uyemura, SA; Rodrigues, FP; Curti, C; Souza, DO; Pardo Andreu, GL;
PUBLISHED: 2014, SOURCE: European Journal of Pharmacology, VOLUME: 726, ISSUE: 1, PAGES: 57-65
369
TITLE: Massive open online course management: Learning science and engineering through peer-reviewed projects. Learning Science and Engineering through Peer-Reviewed Projects
AUTHORS: Pessoa, AM ; Coelho, L; Fernandes, R;
PUBLISHED: 2014, SOURCE: Innovative Teaching Strategies and New Learning Paradigms in Computer Programming, PAGES: 89-105
AUTHORS: Pessoa, AM ; Coelho, L; Fernandes, R;
PUBLISHED: 2014, SOURCE: Innovative Teaching Strategies and New Learning Paradigms in Computer Programming, PAGES: 89-105
370
TITLE: Matrix Trace Operators: From Spectral Moments of Molecular Graphs and Complex Networks to Perturbations in Synthetic Reactions, Micelle Nanoparticles, and Drug ADME Processes
AUTHORS: Humberto Gonzalez Diaz; Sonia Arrasate; Asier G S Gomez San Juan; Nuria Sotomayor; Esther Lete; Alejandro Speck Planche; Juan M Ruso; Feng Luan; Maria Natalia D S Dias Soeiro Cordeiro ;
PUBLISHED: 2014, SOURCE: CURRENT DRUG METABOLISM, VOLUME: 15, ISSUE: 4, PAGES: 470-488
AUTHORS: Humberto Gonzalez Diaz; Sonia Arrasate; Asier G S Gomez San Juan; Nuria Sotomayor; Esther Lete; Alejandro Speck Planche; Juan M Ruso; Feng Luan; Maria Natalia D S Dias Soeiro Cordeiro ;
PUBLISHED: 2014, SOURCE: CURRENT DRUG METABOLISM, VOLUME: 15, ISSUE: 4, PAGES: 470-488
371
TITLE: Molecular Dynamics Simulations of Complex Mixtures Aimed at the Preparation of Naproxen-Imprinted Xerogels Full Text
AUTHORS: Concu, R ; Perez, M; Cordeiro, MNDS ; Azenha, M ;
PUBLISHED: 2014, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 54, ISSUE: 12, PAGES: 3330-3343
AUTHORS: Concu, R ; Perez, M; Cordeiro, MNDS ; Azenha, M ;
PUBLISHED: 2014, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 54, ISSUE: 12, PAGES: 3330-3343
372
TITLE: Molecular dynamics study of mixed alkanethiols covering a gold surface at three different arrangements Full Text
AUTHORS: Vasumathi, V; Natalia, M ; Cordeiro, DS;
PUBLISHED: 2014, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 600, PAGES: 79-86
AUTHORS: Vasumathi, V; Natalia, M ; Cordeiro, DS;
PUBLISHED: 2014, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 600, PAGES: 79-86
373
TITLE: Multi-tasking chemoinformatic model for the efficient discovery of potent and safer anti-bladder cancer agents
AUTHORS: Speck Planche, A; Cordeiro, MNDS ;
PUBLISHED: 2014, SOURCE: Bladder Cancer: Risk Factors, Emerging Treatment Strategies and Challenges, PAGES: 71-93
AUTHORS: Speck Planche, A; Cordeiro, MNDS ;
PUBLISHED: 2014, SOURCE: Bladder Cancer: Risk Factors, Emerging Treatment Strategies and Challenges, PAGES: 71-93
INDEXED IN: 
Scopus
Scopus374
TITLE: New insights on the molecular mechanisms underlying the medium-chain fatty acid acyl-CoA deficiency (MCADD) Full Text
AUTHORS: Bonito, CA ; Leandro, P ; Ventura, FV; Guedes, RC;
PUBLISHED: 2014, SOURCE: FEBS EMBO 2014 Conference in FEBS JOURNAL, VOLUME: 281, PAGES: 358-358
AUTHORS: Bonito, CA ; Leandro, P ; Ventura, FV; Guedes, RC;
PUBLISHED: 2014, SOURCE: FEBS EMBO 2014 Conference in FEBS JOURNAL, VOLUME: 281, PAGES: 358-358
INDEXED IN: 
WOS
WOS375
TITLE: Nosocomial Infections: An Increasing Challenge to Medicinal Chemistry
AUTHORS: Marcus Tullius Scotti; Cordeiro, MNDS ; Alejandro Speck Planche;
PUBLISHED: 2014, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 14, ISSUE: 1, PAGES: 2-3
AUTHORS: Marcus Tullius Scotti; Cordeiro, MNDS ; Alejandro Speck Planche;
PUBLISHED: 2014, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 14, ISSUE: 1, PAGES: 2-3
376
TITLE: Prediction of the Estrogen Receptor Binding Affinity for both hER(alpha) and hER(beta) by QSAR Approaches
AUTHORS: Changliang L Deng; Xuanxuan X Chen; Hongying Y Lu; Xin Yang; Feng Luan; Maria Natalia D S Dias Soeiro Cordeiro ;
PUBLISHED: 2014, SOURCE: LETTERS IN DRUG DESIGN & DISCOVERY, VOLUME: 11, ISSUE: 3, PAGES: 265-278
AUTHORS: Changliang L Deng; Xuanxuan X Chen; Hongying Y Lu; Xin Yang; Feng Luan; Maria Natalia D S Dias Soeiro Cordeiro ;
PUBLISHED: 2014, SOURCE: LETTERS IN DRUG DESIGN & DISCOVERY, VOLUME: 11, ISSUE: 3, PAGES: 265-278
377
TITLE: Principal component analysis of Mn(salen) catalysts Full Text
AUTHORS: Filipe Teixeira ; Ricardo A Mosquera; Andre Melo ; cristina freire ; Natalia N D S Cordeiro ;
PUBLISHED: 2014, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 16, ISSUE: 46, PAGES: 25364-25376
AUTHORS: Filipe Teixeira ; Ricardo A Mosquera; Andre Melo ; cristina freire ; Natalia N D S Cordeiro ;
PUBLISHED: 2014, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 16, ISSUE: 46, PAGES: 25364-25376
378
TITLE: QSPR and Flow Cytometry Analysis (QSPR-FCA): Review and New Findings on Parallel Study of Multiple Interactions of Chemical Compounds with Immune Cellular and Molecular Targets
AUTHORS: Esvieta Tenorio Borroto; Fabiola Rivera Ramirez; Alejandro Speck Planche; Natalia N D S Cordeiro ; Feng Luan; Humberto Gonzalez Diaz;
PUBLISHED: 2014, SOURCE: CURRENT DRUG METABOLISM, VOLUME: 15, ISSUE: 4, PAGES: 414-428
AUTHORS: Esvieta Tenorio Borroto; Fabiola Rivera Ramirez; Alejandro Speck Planche; Natalia N D S Cordeiro ; Feng Luan; Humberto Gonzalez Diaz;
PUBLISHED: 2014, SOURCE: CURRENT DRUG METABOLISM, VOLUME: 15, ISSUE: 4, PAGES: 414-428
INDEXED IN: Scopus WOS
Scopus WOS379
TITLE: QSPR and Flow Cytometry Analysis (QSPR-FCA): Review and New Findings on Parallel Study of Multiple Interactions of Chemical Compounds with Immune Cellular and Molecular Targets
AUTHORS: Esvieta Tenorio-Borroto; Fabiola Ramirez; Alejandro Speck-Planche; Cordeiro, M ; Feng Luan; Humberto Gonzalez-Diaz;
PUBLISHED: 2014, SOURCE: Current Drug Metabolism, VOLUME: 15, ISSUE: 4, PAGES: 414-428
AUTHORS: Esvieta Tenorio-Borroto; Fabiola Ramirez; Alejandro Speck-Planche; Cordeiro, M ; Feng Luan; Humberto Gonzalez-Diaz;
PUBLISHED: 2014, SOURCE: Current Drug Metabolism, VOLUME: 15, ISSUE: 4, PAGES: 414-428
380
TITLE: Review of Current Chemoinformatic Tools for Modeling Important Aspects of CYPs-mediated Drug Metabolism. Integrating Metabolism Data with Other Biological Profiles to Enhance Drug Discovery
AUTHORS: Alejandro Speck Planche; Maria Natalia D S Dias Soeiro Cordeiro ;
PUBLISHED: 2014, SOURCE: CURRENT DRUG METABOLISM, VOLUME: 15, ISSUE: 4, PAGES: 429-440
AUTHORS: Alejandro Speck Planche; Maria Natalia D S Dias Soeiro Cordeiro ;
PUBLISHED: 2014, SOURCE: CURRENT DRUG METABOLISM, VOLUME: 15, ISSUE: 4, PAGES: 429-440
INDEXED IN: Scopus WOS
Scopus WOS