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: 643
15 Team MembersFilters -> Year: 2025
541
TITLE: DFT Study of the CO Oxidation on the Au(321) Surface
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2008, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 112, ISSUE: 44, PAGES: 17291-17302
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2008, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 112, ISSUE: 44, PAGES: 17291-17302
542
TITLE: Exact and effective pair-wise potential for protein-ligand interactions obtained from a semiempirical energy partition Full Text
AUTHORS: Alexandre R F Carvalho ; Andre T Puga; Andre Melo ;
PUBLISHED: 2008, SOURCE: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, VOLUME: 9, ISSUE: 9, PAGES: 1652-1664
AUTHORS: Alexandre R F Carvalho ; Andre T Puga; Andre Melo ;
PUBLISHED: 2008, SOURCE: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, VOLUME: 9, ISSUE: 9, PAGES: 1652-1664
543
TITLE: Gas-phase molecular structure and energetics of anionic silicates Full Text
AUTHORS: Jose R B Gomes ; Natalia N D S Cordeiro ; Miguel Jorge;
PUBLISHED: 2008, SOURCE: GEOCHIMICA ET COSMOCHIMICA ACTA, VOLUME: 72, ISSUE: 17, PAGES: 4421-4439
AUTHORS: Jose R B Gomes ; Natalia N D S Cordeiro ; Miguel Jorge;
PUBLISHED: 2008, SOURCE: GEOCHIMICA ET COSMOCHIMICA ACTA, VOLUME: 72, ISSUE: 17, PAGES: 4421-4439
544
TITLE: Molecular dynamics study of the interface between water and 2-nitrophenyl octyl ether
AUTHORS: Miguel Jorge; Natalia N D S Cordeiro ;
PUBLISHED: 2008, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 112, ISSUE: 8, PAGES: 2415-2429
AUTHORS: Miguel Jorge; Natalia N D S Cordeiro ;
PUBLISHED: 2008, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 112, ISSUE: 8, PAGES: 2415-2429
545
TITLE: Probing of the voltammetric features of graphite electrodes modified with mercaptoundecanoic acid stabilized gold nanoparticles
AUTHORS: Rubin Gulaboski; Mariana Chirea ; Carlos M Pereira ; Natalia N D S Cordeiro ; Renata B Costa ; Fernando F Silva ;
PUBLISHED: 2008, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 112, ISSUE: 7, PAGES: 2428-2435
AUTHORS: Rubin Gulaboski; Mariana Chirea ; Carlos M Pereira ; Natalia N D S Cordeiro ; Renata B Costa ; Fernando F Silva ;
PUBLISHED: 2008, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 112, ISSUE: 7, PAGES: 2428-2435
546
TITLE: QSAR modeling of the rodent carcinogenicity of nitrocompounds Full Text
AUTHORS: Aliuska Morales Helguera; Natalia N D S Cordeiro ; Miguel Angel Cabrera Perez; Robert D Combes; Maykel Perez Gonzalez;
PUBLISHED: 2008, SOURCE: BIOORGANIC & MEDICINAL CHEMISTRY, VOLUME: 16, ISSUE: 6, PAGES: 3395-3407
AUTHORS: Aliuska Morales Helguera; Natalia N D S Cordeiro ; Miguel Angel Cabrera Perez; Robert D Combes; Maykel Perez Gonzalez;
PUBLISHED: 2008, SOURCE: BIOORGANIC & MEDICINAL CHEMISTRY, VOLUME: 16, ISSUE: 6, PAGES: 3395-3407
547
TITLE: QSAR study on some orally active uracil derivatives as human gonadotropin-releasing-hormone receptor antagonists
AUTHORS: Jha, T; Samanta, S; Basu, S; Halder, AK ; Adhikari, N; Maiti, MK;
PUBLISHED: 2008, SOURCE: Internet Electronic Journal of Molecular Design, VOLUME: 7, ISSUE: 11, PAGES: 234-250
AUTHORS: Jha, T; Samanta, S; Basu, S; Halder, AK ; Adhikari, N; Maiti, MK;
PUBLISHED: 2008, SOURCE: Internet Electronic Journal of Molecular Design, VOLUME: 7, ISSUE: 11, PAGES: 234-250
INDEXED IN: 
Scopus
Scopus548
TITLE: Quantitative Proteome-Property Relationships (QPPRs). Part 1: Finding biomarkers of organic drugs with mean Markov connectivity indices of spiral networks of blood mass spectra Full Text
AUTHORS: Maykel Cruz Monteagudo ; Cristian R Robert Munteanu; Fernanda Borges ; Natalia N D S Cordeiro ; Eugenio Uriarte; Humberto Gonzalez Diaz;
PUBLISHED: 2008, SOURCE: BIOORGANIC & MEDICINAL CHEMISTRY, VOLUME: 16, ISSUE: 22, PAGES: 9684-9693
AUTHORS: Maykel Cruz Monteagudo ; Cristian R Robert Munteanu; Fernanda Borges ; Natalia N D S Cordeiro ; Eugenio Uriarte; Humberto Gonzalez Diaz;
PUBLISHED: 2008, SOURCE: BIOORGANIC & MEDICINAL CHEMISTRY, VOLUME: 16, ISSUE: 22, PAGES: 9684-9693
549
TITLE: Quantitative structure - Carcinogenicity relationship for detecting structural alerts in nitroso compounds: Species, rat; Sex, female; Route of administration, Gavage Full Text
AUTHORS: Aliuska Morales Helguera; Maykel Perez Gonzalez; Maria Natalia D S Dias Soeiro Cordeiro ; Miguel Angel C Cabrera Perez;
PUBLISHED: 2008, SOURCE: CHEMICAL RESEARCH IN TOXICOLOGY, VOLUME: 21, ISSUE: 3, PAGES: 633-642
AUTHORS: Aliuska Morales Helguera; Maykel Perez Gonzalez; Maria Natalia D S Dias Soeiro Cordeiro ; Miguel Angel C Cabrera Perez;
PUBLISHED: 2008, SOURCE: CHEMICAL RESEARCH IN TOXICOLOGY, VOLUME: 21, ISSUE: 3, PAGES: 633-642
550
TITLE: Quantitative structure carcinogenicity relationship for detecting structural alerts in nitroso-compounds - Species: Rat; Sex: Male; Route of administration: Water Full Text
AUTHORS: Aliuska M Morales Helguera; Natalia N D S Cordeiro ; Miguel Angel C Cabrera Perez; Robert D Combes; Maykel P Perez Gonzalez;
PUBLISHED: 2008, SOURCE: TOXICOLOGY AND APPLIED PHARMACOLOGY, VOLUME: 231, ISSUE: 2, PAGES: 197-207
AUTHORS: Aliuska M Morales Helguera; Natalia N D S Cordeiro ; Miguel Angel C Cabrera Perez; Robert D Combes; Maykel P Perez Gonzalez;
PUBLISHED: 2008, SOURCE: TOXICOLOGY AND APPLIED PHARMACOLOGY, VOLUME: 231, ISSUE: 2, PAGES: 197-207
551
TITLE: Redox properties of the calcium chelator Fura-2 in mimetic biomembranes Full Text
AUTHORS: Rubin Gulaboski; Carlos M Pereira ; Natalia N D S Cordeiro ; Fernando F Silva ; Markus Hoth; Ivan Bogeski;
PUBLISHED: 2008, SOURCE: CELL CALCIUM, VOLUME: 43, ISSUE: 6, PAGES: 615-621
AUTHORS: Rubin Gulaboski; Carlos M Pereira ; Natalia N D S Cordeiro ; Fernando F Silva ; Markus Hoth; Ivan Bogeski;
PUBLISHED: 2008, SOURCE: CELL CALCIUM, VOLUME: 43, ISSUE: 6, PAGES: 615-621
552
TITLE: Stochastic molecular descriptors for polymers. 4. Study of complex mixtures with topological indices of mass spectra spiral and star networks: The blood proteome case Full Text
AUTHORS: Maykel Cruz Monteagudo ; Cristian R Robert Munteanu; Fernanda Borges ; Natalia N D S Cordeiro ; Eugenio Uriarte; Kuo Chen Chou; Humberto Gonzalez Diaz;
PUBLISHED: 2008, SOURCE: POLYMER, VOLUME: 49, ISSUE: 25, PAGES: 5575-5587
AUTHORS: Maykel Cruz Monteagudo ; Cristian R Robert Munteanu; Fernanda Borges ; Natalia N D S Cordeiro ; Eugenio Uriarte; Kuo Chen Chou; Humberto Gonzalez Diaz;
PUBLISHED: 2008, SOURCE: POLYMER, VOLUME: 49, ISSUE: 25, PAGES: 5575-5587
553
TITLE: Structural Insight on the Activity of Type 1 Angiotensin II Peptide Antagonists Using MD Simulations
AUTHORS: Marco A C Preto; Andre Melo ; Ligia M Rodrigues; Hernani L S Maia; Maria J Ramos ;
PUBLISHED: 2008, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 112, ISSUE: 43, PAGES: 13620-13628
AUTHORS: Marco A C Preto; Andre Melo ; Ligia M Rodrigues; Hernani L S Maia; Maria J Ramos ;
PUBLISHED: 2008, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 112, ISSUE: 43, PAGES: 13620-13628
554
TITLE: A DFT study of the chemisorption of methoxy on clean and low oxygen precovered Ru(0001) surfaces Full Text
AUTHORS: Natalia N D S Cordeiro ; Ana S S Pinto; Jose A N F Gomes ;
PUBLISHED: 2007, SOURCE: SURFACE SCIENCE, VOLUME: 601, ISSUE: 12, PAGES: 2473-2485
AUTHORS: Natalia N D S Cordeiro ; Ana S S Pinto; Jose A N F Gomes ;
PUBLISHED: 2007, SOURCE: SURFACE SCIENCE, VOLUME: 601, ISSUE: 12, PAGES: 2473-2485
555
TITLE: Ab initio and density functional study of a caffeic acid amide Full Text
AUTHORS: David A Rincon D; Edgar E Daza C; Natalia N D S Cordeiro ;
PUBLISHED: 2007, SOURCE: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 804, ISSUE: 1-3, PAGES: 57-63
AUTHORS: David A Rincon D; Edgar E Daza C; Natalia N D S Cordeiro ;
PUBLISHED: 2007, SOURCE: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 804, ISSUE: 1-3, PAGES: 57-63
556
TITLE: Adsorption of atomic and molecular oxygen on the au(321) surface: DFT study
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2007, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 111, ISSUE: 46, PAGES: 17311-17321
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2007, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 111, ISSUE: 46, PAGES: 17311-17321
557
TITLE: Adsorption-penetration studies of glucose oxidase into phospholipid monolayers at the 1,2-Dichloroethane/Water interface Full Text
AUTHORS: Helder A Santos; Elisabete S Ferreira ; Elisa J Pereira; Carlos M Pereira ; Kyoesti Kontturi; Fernando Silva ;
PUBLISHED: 2007, SOURCE: CHEMPHYSCHEM, VOLUME: 8, ISSUE: 10, PAGES: 1540-1547
AUTHORS: Helder A Santos; Elisabete S Ferreira ; Elisa J Pereira; Carlos M Pereira ; Kyoesti Kontturi; Fernando Silva ;
PUBLISHED: 2007, SOURCE: CHEMPHYSCHEM, VOLUME: 8, ISSUE: 10, PAGES: 1540-1547
558
TITLE: Application of the replacement method as novel variable selection in QSPR. 2. Soil sorption coefficients Full Text
AUTHORS: Pablo R Duchowicz; Maykel Perez Gonzalez; Aliuska Morales Helguera; Maria Natalia Dias Soeiro Cordeiro ; Eduardo A Castro;
PUBLISHED: 2007, SOURCE: CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, VOLUME: 88, ISSUE: 2, PAGES: 197-203
AUTHORS: Pablo R Duchowicz; Maykel Perez Gonzalez; Aliuska Morales Helguera; Maria Natalia Dias Soeiro Cordeiro ; Eduardo A Castro;
PUBLISHED: 2007, SOURCE: CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, VOLUME: 88, ISSUE: 2, PAGES: 197-203
559
TITLE: Computational modeling tools for the design of potent antimalarial bisbenzamidines: Overcoming the antimalarial potential of pentamidine Full Text
AUTHORS: Maykel Cruz Monteagudo ; Fernanda Borges ; Maykel P Perez Gonzalez; Natalia N D S Dias Soeiro Cordeiro ;
PUBLISHED: 2007, SOURCE: BIOORGANIC & MEDICINAL CHEMISTRY, VOLUME: 15, ISSUE: 15, PAGES: 5322-5339
AUTHORS: Maykel Cruz Monteagudo ; Fernanda Borges ; Maykel P Perez Gonzalez; Natalia N D S Dias Soeiro Cordeiro ;
PUBLISHED: 2007, SOURCE: BIOORGANIC & MEDICINAL CHEMISTRY, VOLUME: 15, ISSUE: 15, PAGES: 5322-5339
560
TITLE: Evaluation of the lipophilic properties of opiolds, amphetamine-like drugs, and metabolites through electrochemical studies at the interface between two immiscible solutions
AUTHORS: Gulaboski, R; Cordeiro, MNDS ; Milhazes, N ; Garrido, J ; Borges, F ; Jorge, M; Pereira, CM ; Bogeski, I; Morales, AH; Naumoski, B; Silva, AF ;
PUBLISHED: 2007, SOURCE: ANALYTICAL BIOCHEMISTRY, VOLUME: 361, ISSUE: 2, PAGES: 236-243
AUTHORS: Gulaboski, R; Cordeiro, MNDS ; Milhazes, N ; Garrido, J ; Borges, F ; Jorge, M; Pereira, CM ; Bogeski, I; Morales, AH; Naumoski, B; Silva, AF ;
PUBLISHED: 2007, SOURCE: ANALYTICAL BIOCHEMISTRY, VOLUME: 361, ISSUE: 2, PAGES: 236-243
