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: 623
15 Team MembersFilters -> Year: 2025
461
TITLE: A computational study of vinylpyranoanthocyanin-phenolic pigments (portisins) Full Text
AUTHORS: Alexandre R F Carvalho ; Joana Oliveira ; Victor de Freitas ; Artur Silva ; Nuno Mateus ; Andre Melo ;
PUBLISHED: 2010, SOURCE: 9th National Meeting of Physical Chemistry in JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 946, ISSUE: 1-3, PAGES: 113-118
AUTHORS: Alexandre R F Carvalho ; Joana Oliveira ; Victor de Freitas ; Artur Silva ; Nuno Mateus ; Andre Melo ;
PUBLISHED: 2010, SOURCE: 9th National Meeting of Physical Chemistry in JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 946, ISSUE: 1-3, PAGES: 113-118
462
TITLE: A Critical Assessment of Methods for the Intrinsic Analysis of Liquid Interfaces. 1. Surface Site Distributions
AUTHORS: Miguel Jorge; Pal Jedlovszky; Natalia N D S Cordeiro ;
PUBLISHED: 2010, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 114, ISSUE: 25, PAGES: 11169-11179
AUTHORS: Miguel Jorge; Pal Jedlovszky; Natalia N D S Cordeiro ;
PUBLISHED: 2010, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 114, ISSUE: 25, PAGES: 11169-11179
463
TITLE: A Critical Assessment of Methods for the Intrinsic Analysis of Liquid Interfaces. 1. Surface Site Distributions (vol 114, pg 11169, 2010)
AUTHORS: Miguel Jorge; Pal Jedlovszky; Natalia, M; Cordeiro, DS ;
PUBLISHED: 2010, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 114, ISSUE: 47, PAGES: 20291-20291
AUTHORS: Miguel Jorge; Pal Jedlovszky; Natalia, M; Cordeiro, DS ;
PUBLISHED: 2010, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 114, ISSUE: 47, PAGES: 20291-20291
464
TITLE: A theoretical interpretation of the color of two classes of pyranoanthocyanins Full Text
AUTHORS: Alexandre R F Carvalho ; Joana Oliveira ; Victor de Freitas ; Nuno Mateus ; Andre Melo ;
PUBLISHED: 2010, SOURCE: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 948, ISSUE: 1-3, PAGES: 61-64
AUTHORS: Alexandre R F Carvalho ; Joana Oliveira ; Victor de Freitas ; Nuno Mateus ; Andre Melo ;
PUBLISHED: 2010, SOURCE: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 948, ISSUE: 1-3, PAGES: 61-64
465
TITLE: A topological substructural molecular design approach for predicting mutagenesis end-points of alpha, beta-unsaturated carbonyl compounds Full Text
AUTHORS: Alfonso Perez Garrido; Aliuska M Morales Helguera; Gabriel C Caravaca Lopez; Natalia N D S Cordeiro ; Amalio G Garrido Escudero;
PUBLISHED: 2010, SOURCE: TOXICOLOGY, VOLUME: 268, ISSUE: 1-2, PAGES: 64-77
AUTHORS: Alfonso Perez Garrido; Aliuska M Morales Helguera; Gabriel C Caravaca Lopez; Natalia N D S Cordeiro ; Amalio G Garrido Escudero;
PUBLISHED: 2010, SOURCE: TOXICOLOGY, VOLUME: 268, ISSUE: 1-2, PAGES: 64-77
466
TITLE: Amino Acid Patterns around Disulfide Bonds Full Text
AUTHORS: Jose R F Marques; Rute R da Fonseca; Brett Drury; Andre Melo ;
PUBLISHED: 2010, SOURCE: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, VOLUME: 11, ISSUE: 11, PAGES: 4673-4686
AUTHORS: Jose R F Marques; Rute R da Fonseca; Brett Drury; Andre Melo ;
PUBLISHED: 2010, SOURCE: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, VOLUME: 11, ISSUE: 11, PAGES: 4673-4686
467
TITLE: Calibration sets and the accuracy of vibrational scaling factors: A case study with the X3LYP hybrid functional Full Text
AUTHORS: Filipe Teixeira ; Andre Melo ; Natalia N D S Cordeiro ;
PUBLISHED: 2010, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 133, ISSUE: 11, PAGES: 114109
AUTHORS: Filipe Teixeira ; Andre Melo ; Natalia N D S Cordeiro ;
PUBLISHED: 2010, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 133, ISSUE: 11, PAGES: 114109
468
TITLE: Cluster and periodic DFT calculations of adsorption of hydroxyl on the Au(h k l) surfaces Full Text
AUTHORS: Ana M Pessoa ; Jose L C Fajin ; Jose R B Gomes ; Natalia N D S Cordeiro ;
PUBLISHED: 2010, SOURCE: 9th National Meeting of Physical Chemistry in JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 946, ISSUE: 1-3, PAGES: 43-50
AUTHORS: Ana M Pessoa ; Jose L C Fajin ; Jose R B Gomes ; Natalia N D S Cordeiro ;
PUBLISHED: 2010, SOURCE: 9th National Meeting of Physical Chemistry in JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 946, ISSUE: 1-3, PAGES: 43-50
469
TITLE: Conformational characterization of disulfide bonds: A tool for protein classification Full Text
AUTHORS: Jose Rui F Ferreira Marques; Rute R da Fonseca; Brett Drury; Andre Melo ;
PUBLISHED: 2010, SOURCE: JOURNAL OF THEORETICAL BIOLOGY, VOLUME: 267, ISSUE: 3, PAGES: 388-395
AUTHORS: Jose Rui F Ferreira Marques; Rute R da Fonseca; Brett Drury; Andre Melo ;
PUBLISHED: 2010, SOURCE: JOURNAL OF THEORETICAL BIOLOGY, VOLUME: 267, ISSUE: 3, PAGES: 388-395
470
TITLE: Critical Assessment of Methods for the Intrinsic Analysis of Liquid Interfaces: 2. Density Profiles
AUTHORS: Miguel Jorge; Gyoergy Hantal; Pal Jedlovszky; Natalia N D S Cordeiro ;
PUBLISHED: 2010, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 114, ISSUE: 43, PAGES: 18656-18663
AUTHORS: Miguel Jorge; Gyoergy Hantal; Pal Jedlovszky; Natalia N D S Cordeiro ;
PUBLISHED: 2010, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 114, ISSUE: 43, PAGES: 18656-18663
471
TITLE: Descriptors controlling the catalytic activity of metallic surfaces toward water splitting Full Text
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Francesc Illas; Jose R B Gomes ;
PUBLISHED: 2010, SOURCE: JOURNAL OF CATALYSIS, VOLUME: 276, ISSUE: 1, PAGES: 92-100
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Francesc Illas; Jose R B Gomes ;
PUBLISHED: 2010, SOURCE: JOURNAL OF CATALYSIS, VOLUME: 276, ISSUE: 1, PAGES: 92-100
472
TITLE: Design of carbocyclic nucleosides with antineoplastic activity Full Text
AUTHORS: Aliuska M Morales Helguera; Natalia N D S Cordeiro ; Rodriguez Borges, JE ; Xerardo Garcia Mera; Maykel P Perez Gonzalez; Yunierkis P Perez Castillo;
PUBLISHED: 2010, SOURCE: PURINERGIC SIGNALLING, VOLUME: 6, ISSUE: 1, PAGES: 99-100
AUTHORS: Aliuska M Morales Helguera; Natalia N D S Cordeiro ; Rodriguez Borges, JE ; Xerardo Garcia Mera; Maykel P Perez Gonzalez; Yunierkis P Perez Castillo;
PUBLISHED: 2010, SOURCE: PURINERGIC SIGNALLING, VOLUME: 6, ISSUE: 1, PAGES: 99-100
INDEXED IN: 
WOS
WOS473
TITLE: Design, Synthesis, and Evaluation of Antineoplastic Activity of Novel Carbocyclic Nucleosides Full Text
AUTHORS: Aliuska M Helguera; Rodriguez Borges, JE ; Olga Caamano; Xerardo Garcia Mera; Maykel P Perez Gonzalez; Natalia N D S Cordeiro ;
PUBLISHED: 2010, SOURCE: MOLECULAR INFORMATICS, VOLUME: 29, ISSUE: 3, PAGES: 213-231
AUTHORS: Aliuska M Helguera; Rodriguez Borges, JE ; Olga Caamano; Xerardo Garcia Mera; Maykel P Perez Gonzalez; Natalia N D S Cordeiro ;
PUBLISHED: 2010, SOURCE: MOLECULAR INFORMATICS, VOLUME: 29, ISSUE: 3, PAGES: 213-231
474
TITLE: Desirability-based simultaneous analysis of binding and relative efficacy profiles of A(3) adenosine receptor agonists Full Text
AUTHORS: Cruz Monteagudo, M; Cordeiro, MNDS ; Teijeira, M; Gonzalez, MP; Borges, F ;
PUBLISHED: 2010, SOURCE: PURINERGIC SIGNALLING, VOLUME: 6, ISSUE: 1, PAGES: 72-73
AUTHORS: Cruz Monteagudo, M; Cordeiro, MNDS ; Teijeira, M; Gonzalez, MP; Borges, F ;
PUBLISHED: 2010, SOURCE: PURINERGIC SIGNALLING, VOLUME: 6, ISSUE: 1, PAGES: 72-73
INDEXED IN: WOS
WOS475
TITLE: DFT study on the reaction of NO oxidation on a stepped gold surface Full Text
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2010, SOURCE: APPLIED CATALYSIS A-GENERAL, VOLUME: 379, ISSUE: 1-2, PAGES: 111-120
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2010, SOURCE: APPLIED CATALYSIS A-GENERAL, VOLUME: 379, ISSUE: 1-2, PAGES: 111-120
476
TITLE: Energy decomposition analysis of cis and trans isomers of 1,2-dihaloethylenes and 2-butene Full Text
AUTHORS: Zenaida Sobral Mourao ; Andre Melo ;
PUBLISHED: 2010, SOURCE: 9th National Meeting of Physical Chemistry in JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 946, ISSUE: 1-3, PAGES: 7-12
AUTHORS: Zenaida Sobral Mourao ; Andre Melo ;
PUBLISHED: 2010, SOURCE: 9th National Meeting of Physical Chemistry in JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 946, ISSUE: 1-3, PAGES: 7-12
477
TITLE: Long-Term Follow-Up of Breast Capsule Contracture Rates in Cosmetic and Reconstructive Cases
AUTHORS: Marques, M ; Brown, SA; Oliveira, I; Cordeiro, MNDS ; Morales Helguera, A; Rodrigues, A ; Amarante, J ;
PUBLISHED: 2010, SOURCE: PLASTIC AND RECONSTRUCTIVE SURGERY, VOLUME: 126, ISSUE: 3, PAGES: 769-778
AUTHORS: Marques, M ; Brown, SA; Oliveira, I; Cordeiro, MNDS ; Morales Helguera, A; Rodrigues, A ; Amarante, J ;
PUBLISHED: 2010, SOURCE: PLASTIC AND RECONSTRUCTIVE SURGERY, VOLUME: 126, ISSUE: 3, PAGES: 769-778
478
TITLE: Multidimensional Drug Design: Simultaneous Analysis of Binding and Relative Efficacy Profiles of N6-substituted-4'-thioadenosines A(3) Adenosine Receptor Agonists. Multidimensional Drug Design Full Text
AUTHORS: Cruz Monteagudo, M ; Cordeiro, MNDS ; Teijeira, M; Gonzalez, MP; Borges, F ;
PUBLISHED: 2010, SOURCE: CHEMICAL BIOLOGY & DRUG DESIGN, VOLUME: 75, ISSUE: 6, PAGES: 607-618
AUTHORS: Cruz Monteagudo, M ; Cordeiro, MNDS ; Teijeira, M; Gonzalez, MP; Borges, F ;
PUBLISHED: 2010, SOURCE: CHEMICAL BIOLOGY & DRUG DESIGN, VOLUME: 75, ISSUE: 6, PAGES: 607-618
479
TITLE: On the Stability of Metal-Aminoacid Complexes in Water Based on Water-Ligand Exchange Reactions and Electronic Properties: Detailed Study on Iron-Glycine Hexacoordinated Complexes Full Text
AUTHORS: Marcos Mandado; Natalia N D S Cordeiro ;
PUBLISHED: 2010, SOURCE: JOURNAL OF COMPUTATIONAL CHEMISTRY, VOLUME: 31, ISSUE: 15, PAGES: 2735-2745
AUTHORS: Marcos Mandado; Natalia N D S Cordeiro ;
PUBLISHED: 2010, SOURCE: JOURNAL OF COMPUTATIONAL CHEMISTRY, VOLUME: 31, ISSUE: 15, PAGES: 2735-2745
480
TITLE: Prioritizing Hits with Appropriate Trade-Offs Between HIV-1 Reverse Transcriptase Inhibitory Efficacy and MT4 Blood Cells Toxicity Through Desirability-Based Multiobjective Optimization and Ranking Full Text
AUTHORS: Cruz Monteagudo, M ; PhamThe, H; Cordeiro, MNDS ; Borges, F ;
PUBLISHED: 2010, SOURCE: MOLECULAR INFORMATICS, VOLUME: 29, ISSUE: 4, PAGES: 303-321
AUTHORS: Cruz Monteagudo, M ; PhamThe, H; Cordeiro, MNDS ; Borges, F ;
PUBLISHED: 2010, SOURCE: MOLECULAR INFORMATICS, VOLUME: 29, ISSUE: 4, PAGES: 303-321
