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: 607
15 Team MembersFilters -> Year: 2024
501
TITLE: Coupling of cyclic voltammetry and electrochemical impedance spectroscopy for probing the thermodynamics of facilitated ion transfer reactions exhibiting chemical kinetic hindrances
AUTHORS: Rubin Gulaboski; Elisabete S Ferreira ; Carlos. M Pereira ; Natalia N D S Cordeiro ; Alessandra Garau; Vito Lippolis; Silva, AF ;
PUBLISHED: 2008, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 112, ISSUE: 1, PAGES: 153-161
AUTHORS: Rubin Gulaboski; Elisabete S Ferreira ; Carlos. M Pereira ; Natalia N D S Cordeiro ; Alessandra Garau; Vito Lippolis; Silva, AF ;
PUBLISHED: 2008, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 112, ISSUE: 1, PAGES: 153-161
502
TITLE: Desirability-Based Methods of Multiobjective Optimization and Ranking for Global QSAR Studies. Filtering Safe and Potent Drug Candidates from Combinatorial Libraries
AUTHORS: Maykel Cruz Monteagudo ; Fernanda Borges ; Natalia N D S Cordeiro ; Luis L C Cagide Fajin ; Carlos Morell; Reinaldo M Molina Ruiz; Yudith Canizares Carmenate; Elena R Rosa Dominguez;
PUBLISHED: 2008, SOURCE: JOURNAL OF COMBINATORIAL CHEMISTRY, VOLUME: 10, ISSUE: 6, PAGES: 897-913
AUTHORS: Maykel Cruz Monteagudo ; Fernanda Borges ; Natalia N D S Cordeiro ; Luis L C Cagide Fajin ; Carlos Morell; Reinaldo M Molina Ruiz; Yudith Canizares Carmenate; Elena R Rosa Dominguez;
PUBLISHED: 2008, SOURCE: JOURNAL OF COMBINATORIAL CHEMISTRY, VOLUME: 10, ISSUE: 6, PAGES: 897-913
503
TITLE: Desirability-based multiobjective optimization for global QSAR studies: Application to the design of novel NSAIDs with improved analgesic, antiinflammatory, and ulcerogenic profiles Full Text
AUTHORS: Maykel Cruz Monteagudo ; Fernanda Borges ; Natalila N D S Cordeiro ;
PUBLISHED: 2008, SOURCE: JOURNAL OF COMPUTATIONAL CHEMISTRY, VOLUME: 29, ISSUE: 14, PAGES: 2445-2459
AUTHORS: Maykel Cruz Monteagudo ; Fernanda Borges ; Natalila N D S Cordeiro ;
PUBLISHED: 2008, SOURCE: JOURNAL OF COMPUTATIONAL CHEMISTRY, VOLUME: 29, ISSUE: 14, PAGES: 2445-2459
504
TITLE: DFT study of the Au(321) surface reconstruction by consecutive deposition of oxygen atoms Full Text
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2008, SOURCE: SURFACE SCIENCE, VOLUME: 602, ISSUE: 2, PAGES: 424-435
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2008, SOURCE: SURFACE SCIENCE, VOLUME: 602, ISSUE: 2, PAGES: 424-435
505
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
506
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
507
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
508
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
509
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
510
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
511
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
Scopus512
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
513
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
514
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
515
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
516
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
517
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
518
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
519
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
520
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
