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: 607
15 Team MembersFilters -> Year: 2024
141
TITLE: New Workflow for QSAR Model Development from Small Data Sets: Small Dataset Curator and Small Dataset Modeler. Integration of Data Curation, Exhaustive Double Cross-Validation, and a Set of Optimal Model Selection Techniques Full Text
AUTHORS: Ambure, P; Gajewicz Skretna, A; Cordeiro, MNDS ; Roy, K;
PUBLISHED: 2019, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 59, ISSUE: 10, PAGES: 4070-4076
AUTHORS: Ambure, P; Gajewicz Skretna, A; Cordeiro, MNDS ; Roy, K;
PUBLISHED: 2019, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 59, ISSUE: 10, PAGES: 4070-4076
142
TITLE: On the role of the surface charge plane position at Au(hkl)-BMImPF(6) interfaces Full Text
AUTHORS: Iuliia V Voroshylova ; Meeri Lembinen; Heigo Ers; Maksim Misin; Volodymyr A Koverga; Carlos M Pereira ; Vladislav B Ivanistsev; Natalia N D S Cordeiro ;
PUBLISHED: 2019, SOURCE: ELECTROCHIMICA ACTA, VOLUME: 318, PAGES: 76-82
AUTHORS: Iuliia V Voroshylova ; Meeri Lembinen; Heigo Ers; Maksim Misin; Volodymyr A Koverga; Carlos M Pereira ; Vladislav B Ivanistsev; Natalia N D S Cordeiro ;
PUBLISHED: 2019, SOURCE: ELECTROCHIMICA ACTA, VOLUME: 318, PAGES: 76-82
143
TITLE: Optimal Control of Thermostatic Loads for Planning Aggregate Consumption: Characterization of Solution and Explicit Strategies
AUTHORS: Fernando A C C Fontes ; Abhishek Halder; Jorge A Becerril; Kumar, PR;
PUBLISHED: 2019, SOURCE: IEEE Control. Syst. Lett., VOLUME: 3, ISSUE: 4, PAGES: 877-882
AUTHORS: Fernando A C C Fontes ; Abhishek Halder; Jorge A Becerril; Kumar, PR;
PUBLISHED: 2019, SOURCE: IEEE Control. Syst. Lett., VOLUME: 3, ISSUE: 4, PAGES: 877-882
144
TITLE: Probing the Environmental Toxicity of Deep Eutectic Solvents and Their Components: An In Silico Modeling Approach
AUTHORS: Halder, AK ; Cordeiro, MNDS ;
PUBLISHED: 2019, SOURCE: ACS SUSTAINABLE CHEMISTRY & ENGINEERING, VOLUME: 7, ISSUE: 12, PAGES: 10649-10660
AUTHORS: Halder, AK ; Cordeiro, MNDS ;
PUBLISHED: 2019, SOURCE: ACS SUSTAINABLE CHEMISTRY & ENGINEERING, VOLUME: 7, ISSUE: 12, PAGES: 10649-10660
145
TITLE: PTML Model of Enzyme Subclasses for Mining the Proteome of Biofuel Producing Microorganisms Full Text
AUTHORS: Riccardo Concu ; Natalia N D S Cordeiro ; Cristian R Munteanu; Humbert Gonzalez Diaz;
PUBLISHED: 2019, SOURCE: JOURNAL OF PROTEOME RESEARCH, VOLUME: 18, ISSUE: 7, PAGES: 2735-2746
AUTHORS: Riccardo Concu ; Natalia N D S Cordeiro ; Cristian R Munteanu; Humbert Gonzalez Diaz;
PUBLISHED: 2019, SOURCE: JOURNAL OF PROTEOME RESEARCH, VOLUME: 18, ISSUE: 7, PAGES: 2735-2746
146
TITLE: QSAR-Co: An Open Source Software for Developing Robust Multitasking or Multitarget Classification-Based QSAR Models Full Text
AUTHORS: Pravin Ambure; Amit Kumar Halder ; Humbert G Gonzalez Diaz; Natalia N D S Cordeiro ;
PUBLISHED: 2019, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 59, ISSUE: 6, PAGES: 2538-2544
AUTHORS: Pravin Ambure; Amit Kumar Halder ; Humbert G Gonzalez Diaz; Natalia N D S Cordeiro ;
PUBLISHED: 2019, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 59, ISSUE: 6, PAGES: 2538-2544
147
TITLE: Salt separation from water using graphene oxide nanochannels: A molecular dynamics simulation study Full Text
AUTHORS: Giri, AK; Teixeira, F ; Cordeiro, MNDS ;
PUBLISHED: 2019, SOURCE: DESALINATION, VOLUME: 460, PAGES: 1-14
AUTHORS: Giri, AK; Teixeira, F ; Cordeiro, MNDS ;
PUBLISHED: 2019, SOURCE: DESALINATION, VOLUME: 460, PAGES: 1-14
148
TITLE: Structural and energetic evolution of fibrinogen toward to the betablocker interactions Full Text
AUTHORS: Michael Gonzalez Durruthy ; Gustavo Scanavachi; Ramon Rial; Zhen Liu; Natalia N D S Cordeiro ; Rosangela Itri; Juan M Ruso;
PUBLISHED: 2019, SOURCE: INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, VOLUME: 137, PAGES: 405-419
AUTHORS: Michael Gonzalez Durruthy ; Gustavo Scanavachi; Ramon Rial; Zhen Liu; Natalia N D S Cordeiro ; Rosangela Itri; Juan M Ruso;
PUBLISHED: 2019, SOURCE: INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, VOLUME: 137, PAGES: 405-419
149
TITLE: The Action of Polyphenols in Diabetes Mellitus and Alzheimer's Disease: A Common Agent for Overlapping Pathologies
AUTHORS: Ana C Silveira ; Jane Pires Dias; Vanessa M Santos; Pedro Fontes Oliveira ; Marco G Alves ; Luis Rato ; Branca M Silva;
PUBLISHED: 2019, SOURCE: CURRENT NEUROPHARMACOLOGY, VOLUME: 17, ISSUE: 7, PAGES: 590-613
AUTHORS: Ana C Silveira ; Jane Pires Dias; Vanessa M Santos; Pedro Fontes Oliveira ; Marco G Alves ; Luis Rato ; Branca M Silva;
PUBLISHED: 2019, SOURCE: CURRENT NEUROPHARMACOLOGY, VOLUME: 17, ISSUE: 7, PAGES: 590-613
150
TITLE: A desirability-based multi objective approach for the virtual screening discovery of broad-spectrum anti-gastric cancer agents Full Text
AUTHORS: Yunierkis Perez Castillo; Aminael Sanchez Rodriguez; Eduardo Tejera; Maykel Cruz Monteagudo ; Fernanda Borges ; Natalia N D S Cordeiro ; Huong, LTT; Hai, PT;
PUBLISHED: 2018, SOURCE: PLOS ONE, VOLUME: 13, ISSUE: 2
AUTHORS: Yunierkis Perez Castillo; Aminael Sanchez Rodriguez; Eduardo Tejera; Maykel Cruz Monteagudo ; Fernanda Borges ; Natalia N D S Cordeiro ; Huong, LTT; Hai, PT;
PUBLISHED: 2018, SOURCE: PLOS ONE, VOLUME: 13, ISSUE: 2
151
TITLE: A DFT and QTAIM study of the adsorption of organic molecules over the copper-doped coronene and circumcoronene Full Text
AUTHORS: Michal Malcek; Natalia N D S Cordeiro ;
PUBLISHED: 2018, SOURCE: PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, VOLUME: 95, PAGES: 59-70
AUTHORS: Michal Malcek; Natalia N D S Cordeiro ;
PUBLISHED: 2018, SOURCE: PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, VOLUME: 95, PAGES: 59-70
152
TITLE: A further development of the QNAR model to predict the cellular uptake of nanoparticles by pancreatic cancer cells Full Text
AUTHORS: Feng Luan; Lili L Tang; Lihong H Zhang; Shuang Zhang; Maykel Cruz Monteagudo ; Natalia N D S Cordeiro ;
PUBLISHED: 2018, SOURCE: FOOD AND CHEMICAL TOXICOLOGY, VOLUME: 112, PAGES: 571-580
AUTHORS: Feng Luan; Lili L Tang; Lihong H Zhang; Shuang Zhang; Maykel Cruz Monteagudo ; Natalia N D S Cordeiro ;
PUBLISHED: 2018, SOURCE: FOOD AND CHEMICAL TOXICOLOGY, VOLUME: 112, PAGES: 571-580
153
TITLE: A novel QSAR model to predict epidermial growth factor inhibitors
AUTHORS: Riccardo Concu ; Maria Natalia Dias Soeiro Cordeiro ;
PUBLISHED: 2018, SOURCE: Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition
AUTHORS: Riccardo Concu ; Maria Natalia Dias Soeiro Cordeiro ;
PUBLISHED: 2018, SOURCE: Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition
INDEXED IN: 
CrossRef
CrossRef154
TITLE: Assessment of electronic transitions involving intermolecular charge transfer in complexes formed by fullerenes and donor–acceptor nanohoops Full Text
AUTHORS: Iván González-Veloso ; Jesús Rodríguez-Otero; Enrique M Cabaleiro-Lago;
PUBLISHED: 2018, SOURCE: Physical Chemistry Chemical Physics, VOLUME: 20, ISSUE: 44, PAGES: 27791-27803
AUTHORS: Iván González-Veloso ; Jesús Rodríguez-Otero; Enrique M Cabaleiro-Lago;
PUBLISHED: 2018, SOURCE: Physical Chemistry Chemical Physics, VOLUME: 20, ISSUE: 44, PAGES: 27791-27803
155
TITLE: Benzamide porphyrins with directly conjugated and distal pyridyl or pyridinium groups substituted to the porphyrin macrocycles: Study of the photosensitising abilities as inducers of apoptosis in cancer cells under photodynamic conditions Full Text
AUTHORS: Sengupta, D; Mazumdar, ZH; Mukherjee, A; Sharma, D; Halder, AK ; Basu, S; Jha, T;
PUBLISHED: 2018, SOURCE: Journal of Photochemistry and Photobiology B: Biology, VOLUME: 178, PAGES: 228-236
AUTHORS: Sengupta, D; Mazumdar, ZH; Mukherjee, A; Sharma, D; Halder, AK ; Basu, S; Jha, T;
PUBLISHED: 2018, SOURCE: Journal of Photochemistry and Photobiology B: Biology, VOLUME: 178, PAGES: 228-236
156
TITLE: Cetuximab and the Head and Neck Squamous Cell Cancer
AUTHORS: Concu, R ; Cordeiro, MNDS ;
PUBLISHED: 2018, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 18, ISSUE: 3, PAGES: 192-198
AUTHORS: Concu, R ; Cordeiro, MNDS ;
PUBLISHED: 2018, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 18, ISSUE: 3, PAGES: 192-198
157
TITLE: Computer-aided drug design approaches to study key therapeutic targets in alzheimer’s disease
AUTHORS: Lemos, A; Melo, R; Moreira, IS; Cordeiro, MNDS ;
PUBLISHED: 2018, SOURCE: Neuromethods, VOLUME: 132, PAGES: 61-106
AUTHORS: Lemos, A; Melo, R; Moreira, IS; Cordeiro, MNDS ;
PUBLISHED: 2018, SOURCE: Neuromethods, VOLUME: 132, PAGES: 61-106
158
TITLE: Cytoprotection of lipoic acid against toxicity induced by saxitoxin in hippocampal cell line HT-22 through in silico modeling and in vitro assays Full Text
AUTHORS: Patrícia Ramos; Marcos Schmitz; Sibele Gama; Aline Portantiolo; Michael Gonzalez Durruthy ; Ana Paula de Souza Votto; Luisa Rodrigues Cornetet; Karina dos Santos Machado; Adriano Werhli; Mariana Zancan Tonel; Solange Binotto Fagan; João Sarkis Yunes; José Maria Monserrat;
PUBLISHED: 2018, SOURCE: Toxicology, VOLUME: 393, PAGES: 171-184
AUTHORS: Patrícia Ramos; Marcos Schmitz; Sibele Gama; Aline Portantiolo; Michael Gonzalez Durruthy ; Ana Paula de Souza Votto; Luisa Rodrigues Cornetet; Karina dos Santos Machado; Adriano Werhli; Mariana Zancan Tonel; Solange Binotto Fagan; João Sarkis Yunes; José Maria Monserrat;
PUBLISHED: 2018, SOURCE: Toxicology, VOLUME: 393, PAGES: 171-184
159
TITLE: Detection of simple inorganic and organic molecules over Cu-decorated circumcoronene: a combined DFT and QTAIM study Full Text
AUTHORS: Malcek, M; Bucinsky, L; Teixeira, F ; Cordeiro, MNDS ;
PUBLISHED: 2018, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 20, ISSUE: 23, PAGES: 16021-16032
AUTHORS: Malcek, M; Bucinsky, L; Teixeira, F ; Cordeiro, MNDS ;
PUBLISHED: 2018, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 20, ISSUE: 23, PAGES: 16021-16032
160
TITLE: Different crystalline forms of titanium dioxide nanomaterial (rutile and anatase) can influence the toxicity of copper in golden mussel Limnoperna fortunei? Full Text
AUTHORS: Manske Nunes, S; Josende, ME; González Durruthy, M ; Pires Ruas, C; Gelesky, MA; Romano, LA; Fattorini, D; Regoli, F; Monserrat, JM; Ventura Lima, J;
PUBLISHED: 2018, SOURCE: Aquatic Toxicology, VOLUME: 205, PAGES: 182-192
AUTHORS: Manske Nunes, S; Josende, ME; González Durruthy, M ; Pires Ruas, C; Gelesky, MA; Romano, LA; Fattorini, D; Regoli, F; Monserrat, JM; Ventura Lima, J;
PUBLISHED: 2018, SOURCE: Aquatic Toxicology, VOLUME: 205, PAGES: 182-192
