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
381
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
382
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
383
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
384
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
385
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
386
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
387
TITLE: Surface Chemistry and Atomic-Scale Reconstruction of Kerogen-Silica Composites
AUTHORS: Gyoergy Hantal; Laurent Brochard; Natalia Dias Soeiro S Cordeiro ; Franz J Ulm; Roland J M Pellenq;
PUBLISHED: 2014, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 118, ISSUE: 5, PAGES: 2429-2438
AUTHORS: Gyoergy Hantal; Laurent Brochard; Natalia Dias Soeiro S Cordeiro ; Franz J Ulm; Roland J M Pellenq;
PUBLISHED: 2014, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 118, ISSUE: 5, PAGES: 2429-2438
388
TITLE: 3D-QSAR Methodologies and Molecular Modeling in Bioinformatics for the Search of Novel Anti-HIV Therapies: Rational Design of Entry Inhibitors
AUTHORS: Alejandro Speck Planche; Valeria V Kleandrova; Marcus T Scotti; Cordeiro, MNDS ;
PUBLISHED: 2013, SOURCE: CURRENT BIOINFORMATICS, VOLUME: 8, ISSUE: 4, PAGES: 452-464
AUTHORS: Alejandro Speck Planche; Valeria V Kleandrova; Marcus T Scotti; Cordeiro, MNDS ;
PUBLISHED: 2013, SOURCE: CURRENT BIOINFORMATICS, VOLUME: 8, ISSUE: 4, PAGES: 452-464
389
TITLE: A DFT study of the NO dissociation on gold surfaces doped with transition metals Full Text
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2013, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 138, ISSUE: 7, PAGES: 074701
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2013, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 138, ISSUE: 7, PAGES: 074701
390
TITLE: Aza-Diels-Alder addition of cyclopentadiene to propynyliminoglyoxylates Full Text
AUTHORS: Filipe Teixeira ; Andre Melo ; Natalia N D S Cordeiro ;
PUBLISHED: 2013, SOURCE: COMPUTATIONAL AND THEORETICAL CHEMISTRY, VOLUME: 1012, PAGES: 54-59
AUTHORS: Filipe Teixeira ; Andre Melo ; Natalia N D S Cordeiro ;
PUBLISHED: 2013, SOURCE: COMPUTATIONAL AND THEORETICAL CHEMISTRY, VOLUME: 1012, PAGES: 54-59
391
TITLE: Calculation of the Intrinsic Solvation Free Energy Profile of an Ionic Penetrant Across a Liquid-Liquid Interface with Computer Simulations
AUTHORS: Maria Darvas; Miguel Jorge; Natalia N D S Cordeiro ; Sofia S Kantorovich; Marcello Sega; Pal Jedlovszky;
PUBLISHED: 2013, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 117, ISSUE: 50, PAGES: 16148-16156
AUTHORS: Maria Darvas; Miguel Jorge; Natalia N D S Cordeiro ; Sofia S Kantorovich; Marcello Sega; Pal Jedlovszky;
PUBLISHED: 2013, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 117, ISSUE: 50, PAGES: 16148-16156
392
TITLE: Challenging the limits of detection of sialylated Thomsen-Friedenreich antigens by in-gel deglycosylation and nano-LC-MALDI-TOF-MS. Nanoanalysis Full Text
AUTHORS: Andreia Almeida; Jose A Ferreira ; Filipe Teixeira ; Catarina Gomes; Natalia N D S Cordeiro ; Hugo Osorio ; Lucio Lara Santos ; Celso A Reis ; Rui Vitorino ; Francisco Amado ;
PUBLISHED: 2013, SOURCE: ELECTROPHORESIS, VOLUME: 34, ISSUE: 16, PAGES: 2337-2341
AUTHORS: Andreia Almeida; Jose A Ferreira ; Filipe Teixeira ; Catarina Gomes; Natalia N D S Cordeiro ; Hugo Osorio ; Lucio Lara Santos ; Celso A Reis ; Rui Vitorino ; Francisco Amado ;
PUBLISHED: 2013, SOURCE: ELECTROPHORESIS, VOLUME: 34, ISSUE: 16, PAGES: 2337-2341
393
TITLE: Chemoinformatics for rational discovery of safe antibacterial drugs: Simultaneous predictions of biological activity against streptococci and toxicological profiles in laboratory animals Full Text
AUTHORS: Alejandro Speck Planche; Valeria V Kleandrova; Cordeiro, MNDS ;
PUBLISHED: 2013, SOURCE: BIOORGANIC & MEDICINAL CHEMISTRY, VOLUME: 21, ISSUE: 10, PAGES: 2727-2732
AUTHORS: Alejandro Speck Planche; Valeria V Kleandrova; Cordeiro, MNDS ;
PUBLISHED: 2013, SOURCE: BIOORGANIC & MEDICINAL CHEMISTRY, VOLUME: 21, ISSUE: 10, PAGES: 2727-2732
394
TITLE: Chemoinformatics in drug design. Artificial neural networks for simultaneous prediction of anti-enterococci activities and toxicological profiles
AUTHORS: Speck Planche, A; Cordeiro, MNDS ;
PUBLISHED: 2013, SOURCE: 5th International Joint Conference on Computational Intelligence, IJCCI 2013 in IJCCI 2013 - Proceedings of the 5th International Joint Conference on Computational Intelligence, PAGES: 458-465
AUTHORS: Speck Planche, A; Cordeiro, MNDS ;
PUBLISHED: 2013, SOURCE: 5th International Joint Conference on Computational Intelligence, IJCCI 2013 in IJCCI 2013 - Proceedings of the 5th International Joint Conference on Computational Intelligence, PAGES: 458-465
INDEXED IN: 
Scopus
Scopus395
TITLE: Chemoinformatics Profiling of Ionic LiquidsuAutomatic and Chemically Interpretable Cytotoxicity Profiling, Virtual Screening, and Cytotoxicophore Identification
AUTHORS: Maykel Cruz Monteagudo; Evys Ancede Gallardo; Miguel Jorge; Maria Natalia D S Dias Soeiro Cordeiro ;
PUBLISHED: 2013, SOURCE: TOXICOLOGICAL SCIENCES, VOLUME: 136, ISSUE: 2, PAGES: 548-565
AUTHORS: Maykel Cruz Monteagudo; Evys Ancede Gallardo; Miguel Jorge; Maria Natalia D S Dias Soeiro Cordeiro ;
PUBLISHED: 2013, SOURCE: TOXICOLOGICAL SCIENCES, VOLUME: 136, ISSUE: 2, PAGES: 548-565
396
TITLE: Cholesteryl ester transfer protein inhibitors in coronary heart disease: Validated comparative QSAR modeling of N, N-disubstituted trifluoro-3-amino-2-propanols Full Text
AUTHORS: Mondal, C; Halder, AK ; Adhikari, N; Jha, T;
PUBLISHED: 2013, SOURCE: Computers in Biology and Medicine, VOLUME: 43, ISSUE: 10, PAGES: 1545-1555
AUTHORS: Mondal, C; Halder, AK ; Adhikari, N; Jha, T;
PUBLISHED: 2013, SOURCE: Computers in Biology and Medicine, VOLUME: 43, ISSUE: 10, PAGES: 1545-1555
397
TITLE: Combining QSAR classification models for predictive modeling of human monoamine oxidase inhibitors Full Text
AUTHORS: Aliuska Morales Helguera; Alfonso Perez Garrido; Alexandra Gaspar ; Joana Reis; Fernando Cagide ; Dolores Vina; Natalia N D S Cordeiro ; Fernanda Borges ;
PUBLISHED: 2013, SOURCE: EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, VOLUME: 59, PAGES: 75-90
AUTHORS: Aliuska Morales Helguera; Alfonso Perez Garrido; Alexandra Gaspar ; Joana Reis; Fernando Cagide ; Dolores Vina; Natalia N D S Cordeiro ; Fernanda Borges ;
PUBLISHED: 2013, SOURCE: EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, VOLUME: 59, PAGES: 75-90
398
TITLE: Computational and Experimental Study of the Effect of PEG in the Preparation of Damascenone-Imprinted Xerogels Full Text
AUTHORS: Manuel Azenha ; Borys Szefczyk ; Dianne Loureiro; Porkodi Kathirvel ; Natalia N D S Cordeiro ; Antonio Fernando Silva ;
PUBLISHED: 2013, SOURCE: LANGMUIR, VOLUME: 29, ISSUE: 6, PAGES: 2024-2032
AUTHORS: Manuel Azenha ; Borys Szefczyk ; Dianne Loureiro; Porkodi Kathirvel ; Natalia N D S Cordeiro ; Antonio Fernando Silva ;
PUBLISHED: 2013, SOURCE: LANGMUIR, VOLUME: 29, ISSUE: 6, PAGES: 2024-2032
399
TITLE: Conductometric study of binary systems based on ionic liquids and acetonitrile in a wide concentration range Full Text
AUTHORS: Oleg N Kalugin; Iuliia V Voroshylova ; Anastasiia V Riabchunova; Elena V Lukinova; Vitaly V Chaban;
PUBLISHED: 2013, SOURCE: Electrochimica Acta, VOLUME: 105, PAGES: 188-199
AUTHORS: Oleg N Kalugin; Iuliia V Voroshylova ; Anastasiia V Riabchunova; Elena V Lukinova; Vitaly V Chaban;
PUBLISHED: 2013, SOURCE: Electrochimica Acta, VOLUME: 105, PAGES: 188-199
400
TITLE: Current Tendencies in Antimicrobial Research: Medicinal Chemistry of Antibacterial Agents and Advances in the Use of Computational Methodologies
AUTHORS: Marcus Tullius Scotti; Cordeiro, MNDS ; Alejandro Speck Planche;
PUBLISHED: 2013, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 13, ISSUE: 24, PAGES: 3011-3012
AUTHORS: Marcus Tullius Scotti; Cordeiro, MNDS ; Alejandro Speck Planche;
PUBLISHED: 2013, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 13, ISSUE: 24, PAGES: 3011-3012
