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.
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Internal
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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
261
TITLE: Probing the toxicity of nanoparticles: a unified in silico machine learning model based on perturbation theory Full Text
AUTHORS: Concu, R ; Kleandrova, VV; Speck Planche, A; Cordeiro, MNDS ;
PUBLISHED: 2017, SOURCE: NANOTOXICOLOGY, VOLUME: 11, ISSUE: 7, PAGES: 891-906
AUTHORS: Concu, R ; Kleandrova, VV; Speck Planche, A; Cordeiro, MNDS ;
PUBLISHED: 2017, SOURCE: NANOTOXICOLOGY, VOLUME: 11, ISSUE: 7, PAGES: 891-906
262
TITLE: QSAR-based studies of nanomaterials in the environment
AUTHORS: Kleandrova, VV; Luan, F; Speck Planche, A; Cordeiro, MNDS ;
PUBLISHED: 2017, SOURCE: Materials Science and Engineering: Concepts, Methodologies, Tools, and Applications, VOLUME: 3-3, PAGES: 1504-1532
AUTHORS: Kleandrova, VV; Luan, F; Speck Planche, A; Cordeiro, MNDS ;
PUBLISHED: 2017, SOURCE: Materials Science and Engineering: Concepts, Methodologies, Tools, and Applications, VOLUME: 3-3, PAGES: 1504-1532
263
TITLE: QSPR/QSAR-based Perturbation Theory approach and mechanistic electrochemical assays on carbon nanotubes with optimal properties against mitochondrial Fenton reaction experimentally induced by Fe2+-overload Full Text
AUTHORS: González Durruthy, M ; Castro, M; Nunes, SM; Ventura Lima, J; Alberici, LC; Naal, Z; Atique Sawazaki, DT; Curti, C; Ruas, CP; Gelesky, MA; Roy, K; González Díaz, H; Monserrat, JM;
PUBLISHED: 2017, SOURCE: Carbon, VOLUME: 115, PAGES: 312-330
AUTHORS: González Durruthy, M ; Castro, M; Nunes, SM; Ventura Lima, J; Alberici, LC; Naal, Z; Atique Sawazaki, DT; Curti, C; Ruas, CP; Gelesky, MA; Roy, K; González Díaz, H; Monserrat, JM;
PUBLISHED: 2017, SOURCE: Carbon, VOLUME: 115, PAGES: 312-330
264
TITLE: Rational Design of Multi-Target Estrogen Receptors ER alpha and ER beta by QSAR Approaches
AUTHORS: Qi Zhao; Yuxi X Lu; Yan Zhao; Rongchao C Li; Feng Luan; Natalia N D S Cordeiro ;
PUBLISHED: 2017, SOURCE: CURRENT DRUG TARGETS, VOLUME: 18, ISSUE: 5, PAGES: 576-591
AUTHORS: Qi Zhao; Yuxi X Lu; Yan Zhao; Rongchao C Li; Feng Luan; Natalia N D S Cordeiro ;
PUBLISHED: 2017, SOURCE: CURRENT DRUG TARGETS, VOLUME: 18, ISSUE: 5, PAGES: 576-591
265
TITLE: Removal of Pb(II) Ion Using PAMAM Dendrimer Grafted Graphene and Graphene Oxide Surfaces: A Molecular Dynamics Study
AUTHORS: Kommu, A; Velachi, V; Natalia, M ; Cordeiro, DS; Singh, JK;
PUBLISHED: 2017, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 121, ISSUE: 48, PAGES: 9320-9329
AUTHORS: Kommu, A; Velachi, V; Natalia, M ; Cordeiro, DS; Singh, JK;
PUBLISHED: 2017, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 121, ISSUE: 48, PAGES: 9320-9329
266
TITLE: Ruthenium-Platinum Catalysts and Direct Methanol Fuel Cells (DMFC): A Review of Theoretical and Experimental Breakthroughs Full Text
AUTHORS: Ana S Moura ; Jose L C Fajin ; Marcos Mandado; Maria Natalia D S Cordeiro ;
PUBLISHED: 2017, SOURCE: CATALYSTS, VOLUME: 7, ISSUE: 2, PAGES: 47
AUTHORS: Ana S Moura ; Jose L C Fajin ; Marcos Mandado; Maria Natalia D S Cordeiro ;
PUBLISHED: 2017, SOURCE: CATALYSTS, VOLUME: 7, ISSUE: 2, PAGES: 47
267
TITLE: Speeding up Early Drug Discovery in Antiviral Research: A Fragment Based in Silico Approach for the Design of Virtual Anti-Hepatitis C Leads Full Text
AUTHORS: Speck Planche, A; Cordeiro, MNDS ;
PUBLISHED: 2017, SOURCE: ACS COMBINATORIAL SCIENCE, VOLUME: 19, ISSUE: 8, PAGES: 501-512
AUTHORS: Speck Planche, A; Cordeiro, MNDS ;
PUBLISHED: 2017, SOURCE: ACS COMBINATORIAL SCIENCE, VOLUME: 19, ISSUE: 8, PAGES: 501-512
268
TITLE: Speeding Up the Virtual Design and Screening of Therapeutic Peptides: Simultaneous Prediction of Anticancer Activity and Cytotoxicity
AUTHORS: Speck Planche, A; Cordeiro, MNDS ;
PUBLISHED: 2017, SOURCE: Multi-Scale Approaches in Drug Discovery: From Empirical Knowledge to In silico Experiments and Back, PAGES: 127-147
AUTHORS: Speck Planche, A; Cordeiro, MNDS ;
PUBLISHED: 2017, SOURCE: Multi-Scale Approaches in Drug Discovery: From Empirical Knowledge to In silico Experiments and Back, PAGES: 127-147
269
TITLE: Strengths, Weaknesses, Opportunities and Threats: Computational Studies of Mn- and Fe-Catalyzed Epoxidations Full Text
AUTHORS: Filipe Teixeira ; Natalia N D S Cordeiro ;
PUBLISHED: 2017, SOURCE: CATALYSTS, VOLUME: 7, ISSUE: 1, PAGES: 2
AUTHORS: Filipe Teixeira ; Natalia N D S Cordeiro ;
PUBLISHED: 2017, SOURCE: CATALYSTS, VOLUME: 7, ISSUE: 1, PAGES: 2
270
TITLE: Structure-function relationships in ABCG2: insights from molecular dynamics simulations and molecular docking studies Full Text
AUTHORS: Ricardo J Ferreira; Catia A Bonito ; Natalia N D S Cordeiro ; Maria Jose U Ferreira; Daniel J V A dos Santos ;
PUBLISHED: 2017, SOURCE: SCIENTIFIC REPORTS, VOLUME: 7, ISSUE: 1
AUTHORS: Ricardo J Ferreira; Catia A Bonito ; Natalia N D S Cordeiro ; Maria Jose U Ferreira; Daniel J V A dos Santos ;
PUBLISHED: 2017, SOURCE: SCIENTIFIC REPORTS, VOLUME: 7, ISSUE: 1
271
TITLE: Vaporization of protic ionic liquids derived from organic superbases and short carboxylic acids Full Text
AUTHORS: Filipe M S Ribeiro; Carlos F R A C Lima ; Ines C M Vaz; Ana S M C Rodrigues; Erlin Sapei; Andre Melo ; Artur M S Silva ; Luis M N B F Santos ;
PUBLISHED: 2017, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 19, ISSUE: 25, PAGES: 16693-16701
AUTHORS: Filipe M S Ribeiro; Carlos F R A C Lima ; Ines C M Vaz; Ana S M C Rodrigues; Erlin Sapei; Andre Melo ; Artur M S Silva ; Luis M N B F Santos ;
PUBLISHED: 2017, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 19, ISSUE: 25, PAGES: 16693-16701
272
TITLE: Water dissociation on multimetallic catalysts Full Text
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes;
PUBLISHED: 2017, SOURCE: APPLIED CATALYSIS B-ENVIRONMENTAL, VOLUME: 218, PAGES: 199-207
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes;
PUBLISHED: 2017, SOURCE: APPLIED CATALYSIS B-ENVIRONMENTAL, VOLUME: 218, PAGES: 199-207
273
TITLE: A computational study of the interaction of graphene structures with biomolecular units Full Text
AUTHORS: Diego L Lopez Carballeira; Nicolas Ramos Berdullas; Ignacio Perez Juste; Jose Luis C Cagide Fajin ; Natalia N D S Cordeiro ; Marcos Mandado;
PUBLISHED: 2016, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 18, ISSUE: 22, PAGES: 15312-15321
AUTHORS: Diego L Lopez Carballeira; Nicolas Ramos Berdullas; Ignacio Perez Juste; Jose Luis C Cagide Fajin ; Natalia N D S Cordeiro ; Marcos Mandado;
PUBLISHED: 2016, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 18, ISSUE: 22, PAGES: 15312-15321
274
TITLE: A Machine Learning Approach for Hot-Spot Detection at Protein-Protein Interfaces Full Text
AUTHORS: Rita Melo; Robert Fieldhouse; Andre Melo ; Joao D G Correia; Maria Natalia D S Cordeiro ; Zeynep H Gumus; Joaquim Costa ; Alexandre M J J Bonvin; Irina S Moreira ;
PUBLISHED: 2016, SOURCE: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, VOLUME: 17, ISSUE: 8, PAGES: 1215
AUTHORS: Rita Melo; Robert Fieldhouse; Andre Melo ; Joao D G Correia; Maria Natalia D S Cordeiro ; Zeynep H Gumus; Joaquim Costa ; Alexandre M J J Bonvin; Irina S Moreira ;
PUBLISHED: 2016, SOURCE: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, VOLUME: 17, ISSUE: 8, PAGES: 1215
275
TITLE: Carbon-nanorings ([10]CPP and [6]CPPA) as fullerene (C60 and C70) receptors: a comprehensive dispersion-corrected DFT study Full Text
AUTHORS: Iván González-Veloso ; Jesús Rodríguez-Otero; Enrique M Cabaleiro-Lago;
PUBLISHED: 2016, SOURCE: Physical Chemistry Chemical Physics, VOLUME: 18, ISSUE: 46, PAGES: 31670-31679
AUTHORS: Iván González-Veloso ; Jesús Rodríguez-Otero; Enrique M Cabaleiro-Lago;
PUBLISHED: 2016, SOURCE: Physical Chemistry Chemical Physics, VOLUME: 18, ISSUE: 46, PAGES: 31670-31679
276
TITLE: Effect of the Exchange-Correlation Potential on the Transferability of Bronsted-Evans-Polanyi Relationships in Heterogeneous Catalysis Full Text
AUTHORS: Jose L C Fajin ; Francesc Vines; Natalia N D S Cordeiro ; Francesc Illas; Jose R B Gomes;
PUBLISHED: 2016, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 12, ISSUE: 5, PAGES: 2121-2126
AUTHORS: Jose L C Fajin ; Francesc Vines; Natalia N D S Cordeiro ; Francesc Illas; Jose R B Gomes;
PUBLISHED: 2016, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 12, ISSUE: 5, PAGES: 2121-2126
277
TITLE: Efficient and biologically relevant consensus strategy for Parkinson's disease gene prioritization Full Text
AUTHORS: Maykel Cruz Monteagudo; Fernanda Borges ; Cesar Paz y Mino; Natalia N D S Cordeiro ; Irene Rebelo ; Yunierkis Perez Castillo; Aliuska M Morales Helguera; Aminael Sanchez Rodriguez; Eduardo Tejera;
PUBLISHED: 2016, SOURCE: BMC MEDICAL GENOMICS, VOLUME: 9, ISSUE: 1
AUTHORS: Maykel Cruz Monteagudo; Fernanda Borges ; Cesar Paz y Mino; Natalia N D S Cordeiro ; Irene Rebelo ; Yunierkis Perez Castillo; Aliuska M Morales Helguera; Aminael Sanchez Rodriguez; Eduardo Tejera;
PUBLISHED: 2016, SOURCE: BMC MEDICAL GENOMICS, VOLUME: 9, ISSUE: 1
278
TITLE: Enabling the Discovery and Virtual Screening of Potent and Safe Antimicrobial Peptides. Simultaneous Prediction of Antibacterial Activity and Cytotoxicity Full Text
AUTHORS: Valeria V Kleandrova; Juan M Ruso; Alejandro Speck Planche; Natalia Dias Soeiro Cordeiro, MNDS ;
PUBLISHED: 2016, SOURCE: ACS COMBINATORIAL SCIENCE, VOLUME: 18, ISSUE: 8, PAGES: 490-498
AUTHORS: Valeria V Kleandrova; Juan M Ruso; Alejandro Speck Planche; Natalia Dias Soeiro Cordeiro, MNDS ;
PUBLISHED: 2016, SOURCE: ACS COMBINATORIAL SCIENCE, VOLUME: 18, ISSUE: 8, PAGES: 490-498
279
TITLE: First Multitarget Chemo-Bioinformatic Model To Enable the Discovery of Antibacterial Peptides against Multiple Gram-Positive Pathogens Full Text
AUTHORS: Alejandro Speck Planche; Valeria V Kleandrova; Juan M Ruso; Cordeiro, MNDS ;
PUBLISHED: 2016, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 56, ISSUE: 3, PAGES: 588-598
AUTHORS: Alejandro Speck Planche; Valeria V Kleandrova; Juan M Ruso; Cordeiro, MNDS ;
PUBLISHED: 2016, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 56, ISSUE: 3, PAGES: 588-598
280
TITLE: Hypoxia enhances the malignant nature of bladder cancer cells and concomitantly antagonizes protein O-glycosylation extension
AUTHORS: Andreia Peixoto; Elisabete Fernandes; Cristiana Gaiteiro; Luis Lima; Rita Azevedo; Janine Soares; Sofia Cotton; Beatriz Parreira; Manuel Neves; Teresina Amaro; Ana Tavares; Filipe Teixeira ; Carlos Palmeira ; Maria Rangel ; Silva, AMN ; Celso A Reis ; Lucio Lara Santos; Maria Jose Oliveira ; Jose Alexandre Ferreira;
PUBLISHED: 2016, SOURCE: ONCOTARGET, VOLUME: 7, ISSUE: 39, PAGES: 63138-63157
AUTHORS: Andreia Peixoto; Elisabete Fernandes; Cristiana Gaiteiro; Luis Lima; Rita Azevedo; Janine Soares; Sofia Cotton; Beatriz Parreira; Manuel Neves; Teresina Amaro; Ana Tavares; Filipe Teixeira ; Carlos Palmeira ; Maria Rangel ; Silva, AMN ; Celso A Reis ; Lucio Lara Santos; Maria Jose Oliveira ; Jose Alexandre Ferreira;
PUBLISHED: 2016, SOURCE: ONCOTARGET, VOLUME: 7, ISSUE: 39, PAGES: 63138-63157
