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
441
TITLE: Towards the Discovery of a Novel Class of Monoamine Oxidase Inhibitors: Structure-Property-Activity and Docking Studies on Chromone Amides Full Text
AUTHORS: Alexandra Gaspar ; Filipe Teixeira ; Eugenio Uriarte; Nuno Milhazes ; Andre Melo ; Natalia N D S Cordeiro ; Francesco Ortuso; Stefano Alcaro; Fernanda Borges ;
PUBLISHED: 2011, SOURCE: CHEMMEDCHEM, VOLUME: 6, ISSUE: 4, PAGES: 628-632
AUTHORS: Alexandra Gaspar ; Filipe Teixeira ; Eugenio Uriarte; Nuno Milhazes ; Andre Melo ; Natalia N D S Cordeiro ; Francesco Ortuso; Stefano Alcaro; Fernanda Borges ;
PUBLISHED: 2011, SOURCE: CHEMMEDCHEM, VOLUME: 6, ISSUE: 4, PAGES: 628-632
442
TITLE: Two New Parameters Based on Distances in a Receiver Operating Characteristic Chart for the Selection of Classification Models Full Text
AUTHORS: Perez Garrido, A; Helguera, AM; Borges, F ; Cordeiro, MNDS ; Rivero, V; Escudero, AG;
PUBLISHED: 2011, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 51, ISSUE: 10, PAGES: 2746-2759
AUTHORS: Perez Garrido, A; Helguera, AM; Borges, F ; Cordeiro, MNDS ; Rivero, V; Escudero, AG;
PUBLISHED: 2011, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 51, ISSUE: 10, PAGES: 2746-2759
443
TITLE: What does an ionic liquid surface really look like? Unprecedented details from molecular simulations Full Text
AUTHORS: Gyoergy Hantal; Natalia N D S Cordeiro ; Miguel Jorge;
PUBLISHED: 2011, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 13, ISSUE: 48, PAGES: 21230-21232
AUTHORS: Gyoergy Hantal; Natalia N D S Cordeiro ; Miguel Jorge;
PUBLISHED: 2011, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 13, ISSUE: 48, PAGES: 21230-21232
444
TITLE: Yeast Network and Report of New Stochastic-Credibility Cell Cycle Models
AUTHORS: Oana Chis; Opris Dumitru; Riccardo Concu ; Bairong Shen;
PUBLISHED: 2011, SOURCE: Current Bioinformatics, VOLUME: 6, ISSUE: 1, PAGES: 35-43
AUTHORS: Oana Chis; Opris Dumitru; Riccardo Concu ; Bairong Shen;
PUBLISHED: 2011, SOURCE: Current Bioinformatics, VOLUME: 6, ISSUE: 1, PAGES: 35-43
445
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
446
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
447
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
448
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
449
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
450
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
451
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
452
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
453
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
454
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
455
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
456
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
WOS457
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
458
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
WOS459
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
460
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
