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: 647
15 Team MembersFilters -> Year: 2025
381
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
382
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
383
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
384
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
385
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
386
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
387
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
Scopus388
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
389
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
390
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
391
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
392
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
393
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
394
TITLE: Density functional treatment of interactions and chemical reactions at interfaces
AUTHORS: Gomes, JRB; Fajin, JLC ; Cordeiro, MNDS ; Teixeira, C ; Paula Gomes ; Pillai, RS; Novell Leruth, G; Toda, J; Jorge, M;
PUBLISHED: 2013, SOURCE: Density Functional Theory: Principles, Applications and Analysis, PAGES: 1-58
AUTHORS: Gomes, JRB; Fajin, JLC ; Cordeiro, MNDS ; Teixeira, C ; Paula Gomes ; Pillai, RS; Novell Leruth, G; Toda, J; Jorge, M;
PUBLISHED: 2013, SOURCE: Density Functional Theory: Principles, Applications and Analysis, PAGES: 1-58
INDEXED IN: Scopus
Scopus395
TITLE: Desirability-based Multi-criteria Virtual Screening of Selective Antimicrobial Cyclic beta-Hairpin Cationic Peptidomimetics
AUTHORS: Maykel Cruz Monteagudo ; Yansy Romero; Natalia N D S Cordeiro ; Fernanda Borges ;
PUBLISHED: 2013, SOURCE: CURRENT PHARMACEUTICAL DESIGN, VOLUME: 19, ISSUE: 12, PAGES: 2148-2163
AUTHORS: Maykel Cruz Monteagudo ; Yansy Romero; Natalia N D S Cordeiro ; Fernanda Borges ;
PUBLISHED: 2013, SOURCE: CURRENT PHARMACEUTICAL DESIGN, VOLUME: 19, ISSUE: 12, PAGES: 2148-2163
396
TITLE: DFT Study of the Adsorption of D(L-)Cysteine on Flat and Chiral Stepped Gold Surfaces Full Text
AUTHORS: Jose L C Fajin ; Jose R B Gomes ; Natalia N D S Cordeiro ;
PUBLISHED: 2013, SOURCE: LANGMUIR, VOLUME: 29, ISSUE: 28, PAGES: 8856-8864
AUTHORS: Jose L C Fajin ; Jose R B Gomes ; Natalia N D S Cordeiro ;
PUBLISHED: 2013, SOURCE: LANGMUIR, VOLUME: 29, ISSUE: 28, PAGES: 8856-8864
397
TITLE: DFT study on the reaction of O-2 dissociation catalyzed by gold surfaces doped with transition metal atoms Full Text
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2013, SOURCE: APPLIED CATALYSIS A-GENERAL, VOLUME: 458, PAGES: 90-102
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2013, SOURCE: APPLIED CATALYSIS A-GENERAL, VOLUME: 458, PAGES: 90-102
398
TITLE: Editorial (Hot Topic: Computer-Aided Drug Design, Synthesis and Evaluation of New Anti-Cancer Drugs)
AUTHORS: Natalia. D. S. Cordeiro, M ; Alejandro Speck-Planche;
PUBLISHED: 2013, SOURCE: Current Topics in Medicinal Chemistry, VOLUME: 12, ISSUE: 24, PAGES: 2703-2704
AUTHORS: Natalia. D. S. Cordeiro, M ; Alejandro Speck-Planche;
PUBLISHED: 2013, SOURCE: Current Topics in Medicinal Chemistry, VOLUME: 12, ISSUE: 24, PAGES: 2703-2704
399
TITLE: Electrochemical Oxidation of Tamoxifen Revisited Full Text
AUTHORS: Garrido, JMPJ ; Quezada, E ; Fajin, JLC ; Cordeiro, MNDS ; Garrido, EMPJ ; Borges, F ;
PUBLISHED: 2013, SOURCE: INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE, VOLUME: 8, ISSUE: 4, PAGES: 5710-5723
AUTHORS: Garrido, JMPJ ; Quezada, E ; Fajin, JLC ; Cordeiro, MNDS ; Garrido, EMPJ ; Borges, F ;
PUBLISHED: 2013, SOURCE: INTERNATIONAL JOURNAL OF ELECTROCHEMICAL SCIENCE, VOLUME: 8, ISSUE: 4, PAGES: 5710-5723
INDEXED IN: Scopus 
WOS
Scopus WOS400
TITLE: Electrochemical studies of metallic chromium electrodeposition from a Cr(III) bath Full Text
AUTHORS: Elisabete S C Ferreira ; Pereira, CM ; Silva, AF ;
PUBLISHED: 2013, SOURCE: JOURNAL OF ELECTROANALYTICAL CHEMISTRY, VOLUME: 707, PAGES: 52-58
AUTHORS: Elisabete S C Ferreira ; Pereira, CM ; Silva, AF ;
PUBLISHED: 2013, SOURCE: JOURNAL OF ELECTROANALYTICAL CHEMISTRY, VOLUME: 707, PAGES: 52-58
