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
401
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
Scopus402
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
403
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
404
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
405
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
406
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 WOS407
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
408
TITLE: Evolution of Graph Theory-Based QSAR Methods and their Applications to the Search for New Antibacterial Agents
AUTHORS: Alejandro Speck Planche; Cordeiro, MNDS ;
PUBLISHED: 2013, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 13, ISSUE: 24, PAGES: 3101-3117
AUTHORS: Alejandro Speck Planche; Cordeiro, MNDS ;
PUBLISHED: 2013, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 13, ISSUE: 24, PAGES: 3101-3117
409
TITLE: Exploration of structural and physicochemical requirements and search of virtual hits for aminopeptidase N inhibitors Full Text
AUTHORS: Halder, AK ; Saha, A; Jha, T;
PUBLISHED: 2013, SOURCE: Molecular Diversity, VOLUME: 17, ISSUE: 1, PAGES: 123-137
AUTHORS: Halder, AK ; Saha, A; Jha, T;
PUBLISHED: 2013, SOURCE: Molecular Diversity, VOLUME: 17, ISSUE: 1, PAGES: 123-137
410
TITLE: Exploring QSAR and pharmacophore mapping of structurally diverse selective matrix metalloproteinase-2 inhibitors. Exploring QSAR of MMP-2 inhibitors Full Text
AUTHORS: Halder, AK ; Saha, A; Jha, T;
PUBLISHED: 2013, SOURCE: Journal of Pharmacy and Pharmacology, VOLUME: 65, ISSUE: 10, PAGES: 1541-1554
AUTHORS: Halder, AK ; Saha, A; Jha, T;
PUBLISHED: 2013, SOURCE: Journal of Pharmacy and Pharmacology, VOLUME: 65, ISSUE: 10, PAGES: 1541-1554
411
TITLE: Exploring structural requirements of aurone derivatives as antimalarials by validated DFT-based QSAR, HQSAR, and COMFA-COMSIA approach Full Text
AUTHORS: Adhikari, N; Halder, AK ; Mondal, C; Jha, T;
PUBLISHED: 2013, SOURCE: Medicinal Chemistry Research, VOLUME: 22, ISSUE: 12, PAGES: 6029-6045
AUTHORS: Adhikari, N; Halder, AK ; Mondal, C; Jha, T;
PUBLISHED: 2013, SOURCE: Medicinal Chemistry Research, VOLUME: 22, ISSUE: 12, PAGES: 6029-6045
412
TITLE: Ligand based validated comparative chemometric modeling and pharmacophore mapping of aurone derivatives as antimalarial agents
AUTHORS: Adhikari, N; Halder, AK ; Mondal, C; Jha, T;
PUBLISHED: 2013, SOURCE: Current Computer-Aided Drug Design, VOLUME: 9, ISSUE: 3, PAGES: 417-432
AUTHORS: Adhikari, N; Halder, AK ; Mondal, C; Jha, T;
PUBLISHED: 2013, SOURCE: Current Computer-Aided Drug Design, VOLUME: 9, ISSUE: 3, PAGES: 417-432
413
TITLE: Mechanism of aziridination of styrene catalyzed by copper(I) bis(oxazoline) Full Text
AUTHORS: Merced Montero Campillo, MM; Natalia N D S Cordeiro ;
PUBLISHED: 2013, SOURCE: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 113, ISSUE: 16, PAGES: 2002-2011
AUTHORS: Merced Montero Campillo, MM; Natalia N D S Cordeiro ;
PUBLISHED: 2013, SOURCE: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 113, ISSUE: 16, PAGES: 2002-2011
414
TITLE: Model for High-Throughput Screening of Multitarget Drugs in Chemical Neurosciences: Synthesis, Assay, and Theoretic Study of Rasagiline Carbamates
AUTHORS: Nerea Alonso; Olga Caamano; Francisco J Romero Duran; Feng Luan; Natalia N D S Cordeiro ; Matilde Yanez; Humberto Gonzalez Diaz; Xerardo Garcia Mera;
PUBLISHED: 2013, SOURCE: ACS CHEMICAL NEUROSCIENCE, VOLUME: 4, ISSUE: 10, PAGES: 1393-1403
AUTHORS: Nerea Alonso; Olga Caamano; Francisco J Romero Duran; Feng Luan; Natalia N D S Cordeiro ; Matilde Yanez; Humberto Gonzalez Diaz; Xerardo Garcia Mera;
PUBLISHED: 2013, SOURCE: ACS CHEMICAL NEUROSCIENCE, VOLUME: 4, ISSUE: 10, PAGES: 1393-1403
415
TITLE: Multi-Target Inhibitors for Proteins Associated with Alzheimer: In Silico Discovery using Fragment-Based Descriptors
AUTHORS: Alejandro Speck Planche; Valeria V Kleandrova; Feng Luan; Natalia N D S Cordeiro ;
PUBLISHED: 2013, SOURCE: CURRENT ALZHEIMER RESEARCH, VOLUME: 10, ISSUE: 2, PAGES: 117-124
AUTHORS: Alejandro Speck Planche; Valeria V Kleandrova; Feng Luan; Natalia N D S Cordeiro ;
PUBLISHED: 2013, SOURCE: CURRENT ALZHEIMER RESEARCH, VOLUME: 10, ISSUE: 2, PAGES: 117-124
416
TITLE: New insights toward the discovery of antibacterial agents: Multi-tasking QSBER model for the simultaneous prediction of anti-tuberculosis activity and toxicological profiles of drugs Full Text
AUTHORS: Alejandro Speck Planche; Valeria V Kleandrova; Natalia N D S Cordeiro ;
PUBLISHED: 2013, SOURCE: EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES, VOLUME: 48, ISSUE: 4-5, PAGES: 812-818
AUTHORS: Alejandro Speck Planche; Valeria V Kleandrova; Natalia N D S Cordeiro ;
PUBLISHED: 2013, SOURCE: EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES, VOLUME: 48, ISSUE: 4-5, PAGES: 812-818
417
TITLE: Prediction of the baseline toxicity of non-polar narcotic chemical mixtures by QSAR approach Full Text
AUTHORS: Feng Luan; Xuan Xu; Huitao T Liu; Maria Natalia D S Dias Soeiro Cordeiro ;
PUBLISHED: 2013, SOURCE: CHEMOSPHERE, VOLUME: 90, ISSUE: 6, PAGES: 1980-1986
AUTHORS: Feng Luan; Xuan Xu; Huitao T Liu; Maria Natalia D S Dias Soeiro Cordeiro ;
PUBLISHED: 2013, SOURCE: CHEMOSPHERE, VOLUME: 90, ISSUE: 6, PAGES: 1980-1986
418
TITLE: QSAR Modeling for the Antimalarial Activity of 1,4-Naphthoquinonyl Derivatives as Potential Antimalarial Agents
AUTHORS: Feng Luan; Xuan Xu; Maria Natalia D S Dias Soeiro Cordeiro ; Huitao T Liu; Xiaoyun Y Zhang;
PUBLISHED: 2013, SOURCE: CURRENT COMPUTER-AIDED DRUG DESIGN, VOLUME: 9, ISSUE: 1, PAGES: 95-107
AUTHORS: Feng Luan; Xuan Xu; Maria Natalia D S Dias Soeiro Cordeiro ; Huitao T Liu; Xiaoyun Y Zhang;
PUBLISHED: 2013, SOURCE: CURRENT COMPUTER-AIDED DRUG DESIGN, VOLUME: 9, ISSUE: 1, PAGES: 95-107
INDEXED IN: Scopus WOS
Scopus WOS419
TITLE: Recent Advances on QSAR-Based Profiling of Agonist and Antagonist A(3) Adenosine Receptor Ligands
AUTHORS: Changliang L Deng; Feng Luan; Maykel Cruz Monteagudo ; Fernanda Borges ; Natalia N D S Cordeiro ;
PUBLISHED: 2013, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 13, ISSUE: 9, PAGES: 1048-1068
AUTHORS: Changliang L Deng; Feng Luan; Maykel Cruz Monteagudo ; Fernanda Borges ; Natalia N D S Cordeiro ;
PUBLISHED: 2013, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 13, ISSUE: 9, PAGES: 1048-1068
420
TITLE: Review of quantitative structure-activity/property relationship studies of dyes: recent advances and perspectives Full Text
AUTHORS: Feng Luan; Xuan Xu; Huitao T Liu; Maria Natalia D S Dias Soeiro Cordeiro ;
PUBLISHED: 2013, SOURCE: COLORATION TECHNOLOGY, VOLUME: 129, ISSUE: 3, PAGES: 173-186
AUTHORS: Feng Luan; Xuan Xu; Huitao T Liu; Maria Natalia D S Dias Soeiro Cordeiro ;
PUBLISHED: 2013, SOURCE: COLORATION TECHNOLOGY, VOLUME: 129, ISSUE: 3, PAGES: 173-186
