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
201
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
202
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
203
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
204
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
205
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
206
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
207
TITLE: Enhancement of differential double layer capacitance and charge accumulation by tuning the composition of ionic liquids mixtures Full Text
AUTHORS: Renata Costa ; Iuliia V Voroshylova ; Natalia N D S Cordeiro ; Carlos M Pereira ; Fernando Silva, AF ;
PUBLISHED: 2018, SOURCE: ELECTROCHIMICA ACTA, VOLUME: 261, PAGES: 214-220
AUTHORS: Renata Costa ; Iuliia V Voroshylova ; Natalia N D S Cordeiro ; Carlos M Pereira ; Fernando Silva, AF ;
PUBLISHED: 2018, SOURCE: ELECTROCHIMICA ACTA, VOLUME: 261, PAGES: 214-220
208
TITLE: Estimation of the Toxicity of Different Substituted Aromatic Compounds to the Aquatic Ciliate Tetrahymena pyriformis by QSAR Approach Full Text
AUTHORS: Luan, F; Wang, T; Tang, LL; Zhang, S; Cordeiro, MNDS ;
PUBLISHED: 2018, SOURCE: MOLECULES, VOLUME: 23, ISSUE: 5, PAGES: 1002
AUTHORS: Luan, F; Wang, T; Tang, LL; Zhang, S; Cordeiro, MNDS ;
PUBLISHED: 2018, SOURCE: MOLECULES, VOLUME: 23, ISSUE: 5, PAGES: 1002
209
TITLE: Exploring rare chemical phenomena using fractional nuclear charges: The cis-effect in N2F2 Full Text
AUTHORS: Teixeira, F ; Melo, A ; Cordeiro, MNDS ;
PUBLISHED: 2018, SOURCE: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 118, ISSUE: 17
AUTHORS: Teixeira, F ; Melo, A ; Cordeiro, MNDS ;
PUBLISHED: 2018, SOURCE: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 118, ISSUE: 17
210
TITLE: Exploring the flap dynamics of the South African HIV subtype C protease in presence of FDA-approved inhibitors: MD study Full Text
AUTHORS: Siyabonga I Maphumulo; Amit K Halder ; Thavendran Govender; Sibusiso Maseko; Glenn E M Maguire; Bahareh Honarparvar; Hendrik G Kruger;
PUBLISHED: 2018, SOURCE: Chemical Biology & Drug Design, VOLUME: 92, ISSUE: 5, PAGES: 1899-1913
AUTHORS: Siyabonga I Maphumulo; Amit K Halder ; Thavendran Govender; Sibusiso Maseko; Glenn E M Maguire; Bahareh Honarparvar; Hendrik G Kruger;
PUBLISHED: 2018, SOURCE: Chemical Biology & Drug Design, VOLUME: 92, ISSUE: 5, PAGES: 1899-1913
211
TITLE: Finding the structural requirements of diverse HIV-1 protease inhibitors using multiple QSAR modelling for lead identification Full Text
AUTHORS: A.K Halder ;
PUBLISHED: 2018, SOURCE: SAR and QSAR in Environmental Research, VOLUME: 29, ISSUE: 11, PAGES: 911-933
AUTHORS: A.K Halder ;
PUBLISHED: 2018, SOURCE: SAR and QSAR in Environmental Research, VOLUME: 29, ISSUE: 11, PAGES: 911-933
212
TITLE: From All Atom to Coarse Grain: Molecular Dynamic Simulation of Imprinting Process on a Silica Xerogel
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
CrossRef213
TITLE: Fullerene size controls the selective complexation of [11]CPP with pristine and endohedral fullerenes Full Text
AUTHORS: González-Veloso, I ; Cabaleiro-Lago, EM; Rodríguez-Otero, J;
PUBLISHED: 2018, SOURCE: Physical Chemistry Chemical Physics, VOLUME: 20, ISSUE: 16, PAGES: 11347-11358
AUTHORS: González-Veloso, I ; Cabaleiro-Lago, EM; Rodríguez-Otero, J;
PUBLISHED: 2018, SOURCE: Physical Chemistry Chemical Physics, VOLUME: 20, ISSUE: 16, PAGES: 11347-11358
214
TITLE: Grading <i>versus</i> Reliability: how Academia perspectives evaluation on MOOCs
AUTHORS: Moura, AS ; Cordeiro, MNDS;
PUBLISHED: 2018, SOURCE: 4TH INTERNATIONAL CONFERENCE ON HIGHER EDUCATION ADVANCES (HEAD'18), PAGES: 935-942
AUTHORS: Moura, AS ; Cordeiro, MNDS;
PUBLISHED: 2018, SOURCE: 4TH INTERNATIONAL CONFERENCE ON HIGHER EDUCATION ADVANCES (HEAD'18), PAGES: 935-942
INDEXED IN: 
WOS CrossRef
WOS CrossRef215
TITLE: Head and Neck Cancer: Recent Findings and New Targets
AUTHORS: Ardito, F; Dias Soeiro D S Cordeiro ; Muzio, L; Concu, R ;
PUBLISHED: 2018, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 18, ISSUE: 3, PAGES: 173-173
AUTHORS: Ardito, F; Dias Soeiro D S Cordeiro ; Muzio, L; Concu, R ;
PUBLISHED: 2018, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 18, ISSUE: 3, PAGES: 173-173
216
TITLE: In Silico Studies Targeting G-protein Coupled Receptors for Drug Research Against Parkinsons Disease
AUTHORS: Agostinho Lemos; Rita Melo; Antonio Jose Preto; Jose Guilherme Almeida; Irina Sousa Moreira; Maria Natalia D S Dias Soeiro Cordeiro ;
PUBLISHED: 2018, SOURCE: CURRENT NEUROPHARMACOLOGY, VOLUME: 16, ISSUE: 6, PAGES: 786-848
AUTHORS: Agostinho Lemos; Rita Melo; Antonio Jose Preto; Jose Guilherme Almeida; Irina Sousa Moreira; Maria Natalia D S Dias Soeiro Cordeiro ;
PUBLISHED: 2018, SOURCE: CURRENT NEUROPHARMACOLOGY, VOLUME: 16, ISSUE: 6, PAGES: 786-848
217
TITLE: Influence of the anion on the properties of ionic liquid mixtures: a molecular dynamics study Full Text
AUTHORS: Voroshylova, IV ; Ferreira, ESC ; Malcek, M; Costa, R ; Pereira, CM ; Cordeiro, NDS ;
PUBLISHED: 2018, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 20, ISSUE: 21, PAGES: 14899-14918
AUTHORS: Voroshylova, IV ; Ferreira, ESC ; Malcek, M; Costa, R ; Pereira, CM ; Cordeiro, NDS ;
PUBLISHED: 2018, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 20, ISSUE: 21, PAGES: 14899-14918
218
TITLE: Inhibition of Mycobacterium tuberculosis
L,D-Transpeptidase 5 by Carbapenems: MD and QM/MM Mechanistic Studies
AUTHORS: Gideon F Tolufashe; Amit K Halder ; Collins U Ibeji; Monsurat M Lawal; Thandokuhle Ntombela; Thavendran Govender; Glenn E M Maguire; Gyanu Lamichhane; Hendrik G Kruger; Bahareh Honarparvar;
PUBLISHED: 2018, SOURCE: ChemistrySelect, VOLUME: 3, ISSUE: 48, PAGES: 13603-13612
AUTHORS: Gideon F Tolufashe; Amit K Halder ; Collins U Ibeji; Monsurat M Lawal; Thandokuhle Ntombela; Thavendran Govender; Glenn E M Maguire; Gyanu Lamichhane; Hendrik G Kruger; Bahareh Honarparvar;
PUBLISHED: 2018, SOURCE: ChemistrySelect, VOLUME: 3, ISSUE: 48, PAGES: 13603-13612
219
TITLE: Looking for New Inhibitors for the Epidermal Growth Factor Receptor
AUTHORS: Concu, R ; Cordeiro, MNDS ;
PUBLISHED: 2018, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 18, ISSUE: 3, PAGES: 219-232
AUTHORS: Concu, R ; Cordeiro, MNDS ;
PUBLISHED: 2018, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 18, ISSUE: 3, PAGES: 219-232
220
TITLE: Mixed self-assembled monolayers on gold nanoparticles: Synthesis, properties, and applications
AUTHORS: Vasumathi, V; Cordeiro, MNDS ;
PUBLISHED: 2018, SOURCE: Encyclopedia of Interfacial Chemistry: Surface Science and Electrochemistry, PAGES: 769-776
AUTHORS: Vasumathi, V; Cordeiro, MNDS ;
PUBLISHED: 2018, SOURCE: Encyclopedia of Interfacial Chemistry: Surface Science and Electrochemistry, PAGES: 769-776
INDEXED IN: 
Scopus CrossRef
Scopus CrossRef