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
321
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
322
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
323
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
324
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
325
TITLE: Molecular Dynamics Simulations of Complex Mixtures Aimed at the Preparation of Naproxen-Imprinted Xerogels Full Text
AUTHORS: Riccardo Concu ; Martin Perez; Natalia N D S Cordeiro ; Manuel Azenha ;
PUBLISHED: 2014, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 54, ISSUE: 12, PAGES: 3330-3343
AUTHORS: Riccardo Concu ; Martin Perez; Natalia N D S Cordeiro ; Manuel Azenha ;
PUBLISHED: 2014, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 54, ISSUE: 12, PAGES: 3330-3343
326
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
327
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
Scopus328
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
WOS329
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
330
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
331
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
332
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 WOS333
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
334
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 WOS335
TITLE: Review of Current Chemoinformatic Tools for Modeling Important Aspects of CYPsmediated Drug Metabolism. Integrating Metabolism Data with Other Biological Profiles to Enhance Drug Discovery
AUTHORS: Alejandro Speck-Planche; Maria Natalia Cordeiro ;
PUBLISHED: 2014, SOURCE: Current Drug Metabolism, VOLUME: 15, ISSUE: 4, PAGES: 429-440
AUTHORS: Alejandro Speck-Planche; Maria Natalia Cordeiro ;
PUBLISHED: 2014, SOURCE: Current Drug Metabolism, VOLUME: 15, ISSUE: 4, PAGES: 429-440
336
TITLE: Ring-annelated corannulenes as fullerene receptors. A DFT-D study
AUTHORS: Daniela Josa; Lucas Azevedo dos Santos; Iván González-Veloso ; Jesús Rodríguez-Otero; Enrique M Cabaleiro-Lago; Teodorico de Castro Ramalho;
PUBLISHED: 2014, SOURCE: RSC Adv., VOLUME: 4, ISSUE: 56, PAGES: 29826-29833
AUTHORS: Daniela Josa; Lucas Azevedo dos Santos; Iván González-Veloso ; Jesús Rodríguez-Otero; Enrique M Cabaleiro-Lago; Teodorico de Castro Ramalho;
PUBLISHED: 2014, SOURCE: RSC Adv., VOLUME: 4, ISSUE: 56, PAGES: 29826-29833
337
TITLE: Ser(119) phosphorylation modulates the activity and conformation of PRRXL1, a homeodomain transcription factor
AUTHORS: Ricardo Soares dos Reis ; Ana S Pessoa ; Mariana R Matos; Miguel Falcao; Vera M Mendes; Bruno Manadas; Filipe A Monteiro ; Deolinda Lima; Carlos Reguenga ;
PUBLISHED: 2014, SOURCE: BIOCHEMICAL JOURNAL, VOLUME: 459, ISSUE: 3, PAGES: 441-453
AUTHORS: Ricardo Soares dos Reis ; Ana S Pessoa ; Mariana R Matos; Miguel Falcao; Vera M Mendes; Bruno Manadas; Filipe A Monteiro ; Deolinda Lima; Carlos Reguenga ;
PUBLISHED: 2014, SOURCE: BIOCHEMICAL JOURNAL, VOLUME: 459, ISSUE: 3, PAGES: 441-453
338
TITLE: Simultaneous Virtual Prediction of Anti-Escherichia coli Activities and ADMET Profiles: A Chemoinformatic Complementary Approach for High-Throughput Screening Full Text
AUTHORS: Alejandro Speck Planche; Cordeiro, MNDS ;
PUBLISHED: 2014, SOURCE: ACS COMBINATORIAL SCIENCE, VOLUME: 16, ISSUE: 2, PAGES: 78-84
AUTHORS: Alejandro Speck Planche; Cordeiro, MNDS ;
PUBLISHED: 2014, SOURCE: ACS COMBINATORIAL SCIENCE, VOLUME: 16, ISSUE: 2, PAGES: 78-84
339
TITLE: Structural findings of cinnolines as anti-schizophrenic PDE10A inhibitors through comparative chemometric modeling Full Text
AUTHORS: Mondal, C; Halder, AK ; Adhikari, N; Jha, T;
PUBLISHED: 2014, SOURCE: Molecular Diversity, VOLUME: 18, ISSUE: 3, PAGES: 655-671
AUTHORS: Mondal, C; Halder, AK ; Adhikari, N; Jha, T;
PUBLISHED: 2014, SOURCE: Molecular Diversity, VOLUME: 18, ISSUE: 3, PAGES: 655-671
340
TITLE: Structural findings of quinolone carboxylic acids in cytotoxic, antiviral, and anti-HIV-1 integrase activity through validated comparative molecular modeling studies Full Text
AUTHORS: Adhikari, N; Halder, AK ; Mondal, C; Jha, T;
PUBLISHED: 2014, SOURCE: Medicinal Chemistry Research, VOLUME: 23, ISSUE: 6, PAGES: 3096-3127
AUTHORS: Adhikari, N; Halder, AK ; Mondal, C; Jha, T;
PUBLISHED: 2014, SOURCE: Medicinal Chemistry Research, VOLUME: 23, ISSUE: 6, PAGES: 3096-3127
