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
481
TITLE: On the Contribution of Intramolecular Kinetics Properties of an Important Rotamer of Vinylpyranoanthocyanin-Phenol Pigment (Portisin) Full Text
AUTHORS: Alexandre R F Carvalho ; Joana Oliveira ; Victor de Freitas ; Nuno Mateus ; Andre Melo ;
PUBLISHED: 2011, SOURCE: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 111, ISSUE: 7-8, PAGES: 1355-1360
AUTHORS: Alexandre R F Carvalho ; Joana Oliveira ; Victor de Freitas ; Nuno Mateus ; Andre Melo ;
PUBLISHED: 2011, SOURCE: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 111, ISSUE: 7-8, PAGES: 1355-1360
482
TITLE: On the theoretical understanding of the unexpected O-2 activation by nanoporous gold Full Text
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2011, SOURCE: CHEMICAL COMMUNICATIONS, VOLUME: 47, ISSUE: 29, PAGES: 8403-8405
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2011, SOURCE: CHEMICAL COMMUNICATIONS, VOLUME: 47, ISSUE: 29, PAGES: 8403-8405
483
TITLE: Physical Properties at the Base for the Development of an All-Atom Force Field for Ethylene Glycol
AUTHORS: Borys Szefczyk ; Natalia N D S Cordeiro ;
PUBLISHED: 2011, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 115, ISSUE: 12, PAGES: 3013-3019
AUTHORS: Borys Szefczyk ; Natalia N D S Cordeiro ;
PUBLISHED: 2011, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 115, ISSUE: 12, PAGES: 3013-3019
484
TITLE: Response to "Comment on 'Uncertainties in scaling factors for ab initio vibrational zero-point energies' and 'Calibration sets and the accuracy of vibrational scaling factors: A case study with the X3LYP hybrid functional'" [J. Chem. Phys. 134, 167101 (2011)] Full Text
AUTHORS: Filipe Teixeira ; Andre Melo ; Natalia N D S Cordeiro ;
PUBLISHED: 2011, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 134, ISSUE: 16, PAGES: 167103
AUTHORS: Filipe Teixeira ; Andre Melo ; Natalia N D S Cordeiro ;
PUBLISHED: 2011, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 134, ISSUE: 16, PAGES: 167103
485
TITLE: Review of Computer-Aided Models for Predicting Collagen Stability
AUTHORS: Riccardo Concu ; Gianni Podda; Humberto Gonzalez-Diaz; Bairong Shen;
PUBLISHED: 2011, SOURCE: Current Computer Aided-Drug Design, VOLUME: 7, ISSUE: 4, PAGES: 287-303
AUTHORS: Riccardo Concu ; Gianni Podda; Humberto Gonzalez-Diaz; Bairong Shen;
PUBLISHED: 2011, SOURCE: Current Computer Aided-Drug Design, VOLUME: 7, ISSUE: 4, PAGES: 287-303
486
TITLE: Solvation Free Energy Profile of the SCN- Ion across the Water-1,2-Dichloroethane Liquid/Liquid Interface. A Computer Simulation Study
AUTHORS: Maria Darvas; Miguel Jorge; Natalia N D S Cordeiro ; Pal Jedlovszky;
PUBLISHED: 2011, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 115, ISSUE: 22, PAGES: 11140-11146
AUTHORS: Maria Darvas; Miguel Jorge; Natalia N D S Cordeiro ; Pal Jedlovszky;
PUBLISHED: 2011, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 115, ISSUE: 22, PAGES: 11140-11146
487
TITLE: Structural and Thermodynamic Characterization of Polyphenylbenzenes
AUTHORS: Carlos F R A C Lima ; Marisa A A Rocha; Andre Melo ; Ligia R Gomes ; John N Low; Luis M N B F Santos ;
PUBLISHED: 2011, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 115, ISSUE: 42, PAGES: 11876-11888
AUTHORS: Carlos F R A C Lima ; Marisa A A Rocha; Andre Melo ; Ligia R Gomes ; John N Low; Luis M N B F Santos ;
PUBLISHED: 2011, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 115, ISSUE: 42, PAGES: 11876-11888
488
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
489
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
490
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
491
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
492
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
493
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
494
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
495
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
496
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
497
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
498
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
499
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
500
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
