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
541
TITLE: Stereoselectivity of the aza-Diels-Alder reaction between cyclopentadiene and protonated phenylethylimine derived from glyoxylates. A density functional theory study Full Text
AUTHORS: Filipe Teixeira ; Jose E Rodriguez Borges ; Andre Melo ; Natalia N D S Cordeiro ;
PUBLISHED: 2009, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 477, ISSUE: 1-3, PAGES: 60-64
AUTHORS: Filipe Teixeira ; Jose E Rodriguez Borges ; Andre Melo ; Natalia N D S Cordeiro ;
PUBLISHED: 2009, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 477, ISSUE: 1-3, PAGES: 60-64
542
TITLE: The Role of Preadsorbed Atomic Hydrogen in the NO Dissociation on a Zigzag Stepped Gold Surface: A DFT Study
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2009, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 113, ISSUE: 20, PAGES: 8864-8877
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2009, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 113, ISSUE: 20, PAGES: 8864-8877
543
TITLE: Theoretical Prediction of Antiproliferative Activity against Murine Leukemia Tumor Cell Line (L1210). 3D-Morse Descriptor and its Application in Computational Chemistry) Full Text
AUTHORS: Liane Saiz Urra; Yunierkis Perez Castillo; Maykel P Perez Gonzalez; Reinaldo Molina Ruiz; Natalia N D S Cordeiro ; Enrique E Rodriguez Borges ; Xerardo Garcia Mera;
PUBLISHED: 2009, SOURCE: QSAR & COMBINATORIAL SCIENCE, VOLUME: 28, ISSUE: 1, PAGES: 98-110
AUTHORS: Liane Saiz Urra; Yunierkis Perez Castillo; Maykel P Perez Gonzalez; Reinaldo Molina Ruiz; Natalia N D S Cordeiro ; Enrique E Rodriguez Borges ; Xerardo Garcia Mera;
PUBLISHED: 2009, SOURCE: QSAR & COMBINATORIAL SCIENCE, VOLUME: 28, ISSUE: 1, PAGES: 98-110
544
TITLE: Theoretical study of cocaine and ecgonine methyl ester in gas phase and in aqueous solution Full Text
AUTHORS: David A Rincon; Natalia N D S Cordeiro ; Ricardo A Mosquera; Fernanda Borges ;
PUBLISHED: 2009, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 467, ISSUE: 4-6, PAGES: 249-254
AUTHORS: David A Rincon; Natalia N D S Cordeiro ; Ricardo A Mosquera; Fernanda Borges ;
PUBLISHED: 2009, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 467, ISSUE: 4-6, PAGES: 249-254
545
TITLE: 3D-MEDNEs: an alternative "in silico" technique for chemical research in toxicology. 2. Quantitative Proteome-Toxicity Relationships (QPTR) based on mass spectrum spiral entropy Full Text
AUTHORS: Maykel Cruz Monteagudo ; Humberto Gonzalez Diaz; Fernanda Borges ; Elena Rosa Dominguez; Natalia N D S Cordeiro ;
PUBLISHED: 2008, SOURCE: CHEMICAL RESEARCH IN TOXICOLOGY, VOLUME: 21, ISSUE: 3, PAGES: 619-632
AUTHORS: Maykel Cruz Monteagudo ; Humberto Gonzalez Diaz; Fernanda Borges ; Elena Rosa Dominguez; Natalia N D S Cordeiro ;
PUBLISHED: 2008, SOURCE: CHEMICAL RESEARCH IN TOXICOLOGY, VOLUME: 21, ISSUE: 3, PAGES: 619-632
546
TITLE: Applications of 2D Descriptors in Drug Design: A DRAGON Tale
AUTHORS: Aliuska Morales Helguera; Robert D Combes; Maykel Perez Gonzalez; Natalia N D S Cordeiro ;
PUBLISHED: 2008, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 8, ISSUE: 18, PAGES: 1628-1655
AUTHORS: Aliuska Morales Helguera; Robert D Combes; Maykel Perez Gonzalez; Natalia N D S Cordeiro ;
PUBLISHED: 2008, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 8, ISSUE: 18, PAGES: 1628-1655
547
TITLE: Computational chemistry approach for the early detection of drug-induced idiosyncratic liver toxicity Full Text
AUTHORS: Maykel Cruz Monteagudo ; Natalia N D S Cordeiro ; Fernanda Borges ;
PUBLISHED: 2008, SOURCE: JOURNAL OF COMPUTATIONAL CHEMISTRY, VOLUME: 29, ISSUE: 4, PAGES: 533-549
AUTHORS: Maykel Cruz Monteagudo ; Natalia N D S Cordeiro ; Fernanda Borges ;
PUBLISHED: 2008, SOURCE: JOURNAL OF COMPUTATIONAL CHEMISTRY, VOLUME: 29, ISSUE: 4, PAGES: 533-549
548
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
549
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
550
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
551
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
552
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
553
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
554
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
555
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
556
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
557
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
558
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
Scopus559
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
560
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
