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: 623
15 Team MembersFilters -> Year: 2025
481
TITLE: QSAR models to predict mutagenicity of acrylates, methacrylates and alpha,beta-unsaturated carbonyl compounds Full Text
AUTHORS: Alfonso Perez Garrido; Aliuska M Morales Helguera; Francisco G Giron Rodriguez; Natalia N D S Cordeiro ;
PUBLISHED: 2010, SOURCE: DENTAL MATERIALS, VOLUME: 26, ISSUE: 5, PAGES: 397-415
AUTHORS: Alfonso Perez Garrido; Aliuska M Morales Helguera; Francisco G Giron Rodriguez; Natalia N D S Cordeiro ;
PUBLISHED: 2010, SOURCE: DENTAL MATERIALS, VOLUME: 26, ISSUE: 5, PAGES: 397-415
482
TITLE: Quantitative structure-activity relationship modelling of the carcinogenic risk of nitroso compounds using regression analysis and the TOPS-MODE approach Full Text
AUTHORS: Helguera, AM; Perez Machado, G; Cordeiro, MNDS ; Combes, RD;
PUBLISHED: 2010, SOURCE: SAR AND QSAR IN ENVIRONMENTAL RESEARCH, VOLUME: 21, ISSUE: 3-4, PAGES: 277-304
AUTHORS: Helguera, AM; Perez Machado, G; Cordeiro, MNDS ; Combes, RD;
PUBLISHED: 2010, SOURCE: SAR AND QSAR IN ENVIRONMENTAL RESEARCH, VOLUME: 21, ISSUE: 3-4, PAGES: 277-304
483
TITLE: Quantum Semiempirical Energy Based (SEEB) Descriptors Performance with Benzamidine Inhibitors of Trypsin Full Text
AUTHORS: Alexandre R F Carvalho ; Andre Melo ;
PUBLISHED: 2010, SOURCE: MOLECULAR INFORMATICS, VOLUME: 29, ISSUE: 6-7, PAGES: 525-531
AUTHORS: Alexandre R F Carvalho ; Andre Melo ;
PUBLISHED: 2010, SOURCE: MOLECULAR INFORMATICS, VOLUME: 29, ISSUE: 6-7, PAGES: 525-531
484
TITLE: Review of MARCH-INSIDE & Complex Networks Prediction of Drugs: ADMET, Anti-parasite Activity, Metabolizing Enzymes and Cardiotoxicity Proteome Biomarkers
AUTHORS: Humberto Gonzalez-Diaz; Aliuska Duardo-Sanchez; Florencio M. Ubeira; Francisco Prado-Prado; Lazaro G. Perez-Montoto; Concu, R ; Gianni Podda; Bairong Shen;
PUBLISHED: 2010, SOURCE: Current Drug Metabolism, VOLUME: 11, ISSUE: 4, PAGES: 379-406
AUTHORS: Humberto Gonzalez-Diaz; Aliuska Duardo-Sanchez; Florencio M. Ubeira; Francisco Prado-Prado; Lazaro G. Perez-Montoto; Concu, R ; Gianni Podda; Bairong Shen;
PUBLISHED: 2010, SOURCE: Current Drug Metabolism, VOLUME: 11, ISSUE: 4, PAGES: 379-406
485
TITLE: Review of QSAR Models for Enzyme Classes of Drug Targets: Theoretical Background and Applications in Parasites, Hosts and Other Organisms
AUTHORS: Riccardo Concu ; Gianni Podda; Florencio M. Ubeira; Humberto Gonzalez-Diaz;
PUBLISHED: 2010, SOURCE: Current Pharmaceutical Design, VOLUME: 16, ISSUE: 24, PAGES: 2710-2723
AUTHORS: Riccardo Concu ; Gianni Podda; Florencio M. Ubeira; Humberto Gonzalez-Diaz;
PUBLISHED: 2010, SOURCE: Current Pharmaceutical Design, VOLUME: 16, ISSUE: 24, PAGES: 2710-2723
486
TITLE: Structural findings of 2-Phenylindole-3-carbaldehyde derivatives for antimitotic activity by FA-sMLR QSAR analysis Full Text
AUTHORS: Halder, AK ; Adhikari, N; Jha, T;
PUBLISHED: 2010, SOURCE: Chemical Biology and Drug Design, VOLUME: 75, ISSUE: 2, PAGES: 204-213
AUTHORS: Halder, AK ; Adhikari, N; Jha, T;
PUBLISHED: 2010, SOURCE: Chemical Biology and Drug Design, VOLUME: 75, ISSUE: 2, PAGES: 204-213
487
TITLE: Structure of the interface between water and self-assembled monolayers of neutral, anionic and cationic alkane thiols
AUTHORS: Szefczyk, B ; Franco, R ; Gomes, JANF ; Cordeiro, MNDS ;
PUBLISHED: 2010, SOURCE: 9th National Meeting of Physical Chemistry in JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 946, ISSUE: 1-3, PAGES: 83-87
AUTHORS: Szefczyk, B ; Franco, R ; Gomes, JANF ; Cordeiro, MNDS ;
PUBLISHED: 2010, SOURCE: 9th National Meeting of Physical Chemistry in JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 946, ISSUE: 1-3, PAGES: 83-87
488
TITLE: Synthesis, pharmacological activity and comparative QSAR modeling of 1,5-N,N′-substituted-2-(substituted naphthalenesulphonyl) glutamamides as possible anticancer agents Full Text
AUTHORS: Halder, AK ; Adhikary, N; Maity, MK; Jha, T;
PUBLISHED: 2010, SOURCE: European Journal of Medicinal Chemistry, VOLUME: 45, ISSUE: 5, PAGES: 1760-1771
AUTHORS: Halder, AK ; Adhikary, N; Maity, MK; Jha, T;
PUBLISHED: 2010, SOURCE: European Journal of Medicinal Chemistry, VOLUME: 45, ISSUE: 5, PAGES: 1760-1771
489
TITLE: The phenomenological account for electronic polarization in ionic liquid
AUTHORS: Vitaly V Chaban; Iuliia V Voroshylova ; Oleg N Kalugin;
PUBLISHED: 2010, SOURCE: ECS Transactions, VOLUME: 33, ISSUE: 28, PAGES: 43-55
AUTHORS: Vitaly V Chaban; Iuliia V Voroshylova ; Oleg N Kalugin;
PUBLISHED: 2010, SOURCE: ECS Transactions, VOLUME: 33, ISSUE: 28, PAGES: 43-55
490
TITLE: The role of aromatic interactions in the structure and energetics of benzyl ketones Full Text
AUTHORS: Carlos F R A C Lima ; Carlos A D Sousa; Jose E Rodriguez Borges ; Andre Melo ; Ligia R Gomes ; John N Low; Luis M N B F Santos ;
PUBLISHED: 2010, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 12, ISSUE: 37, PAGES: 11228-11237
AUTHORS: Carlos F R A C Lima ; Carlos A D Sousa; Jose E Rodriguez Borges ; Andre Melo ; Ligia R Gomes ; John N Low; Luis M N B F Santos ;
PUBLISHED: 2010, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 12, ISSUE: 37, PAGES: 11228-11237
491
TITLE: Theoretical Study of Morphine and Heroin: Conformational Study in Gas Phase and Aqueous Solution and Electron Distribution Analysis Full Text
AUTHORS: David A Rincon; Natalia N D S Cordeiro ; Ricardo A Mosquera;
PUBLISHED: 2010, SOURCE: 35th Congress of Theoretical Chemists of Latin Expression (QUITEL/CHITEL) in INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 110, ISSUE: 13, PAGES: 2472-2482
AUTHORS: David A Rincon; Natalia N D S Cordeiro ; Ricardo A Mosquera;
PUBLISHED: 2010, SOURCE: 35th Congress of Theoretical Chemists of Latin Expression (QUITEL/CHITEL) in INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 110, ISSUE: 13, PAGES: 2472-2482
492
TITLE: Toxicology and safety of the 4-hidroxi-3-metoxibenzaldehido: Acute, subchronic and reproductive toxicity studies Full Text
AUTHORS: Y.M Trapero Quintana; Mancebo M Rodriguez; Gonzales G Torres; M.A Torres Aleman; J.F Infante; Durruthy, M ; Curbelo C Valiente; Prado, Y; Remigio R Montero;
PUBLISHED: 2010, SOURCE: Toxicology Letters, VOLUME: 196
AUTHORS: Y.M Trapero Quintana; Mancebo M Rodriguez; Gonzales G Torres; M.A Torres Aleman; J.F Infante; Durruthy, M ; Curbelo C Valiente; Prado, Y; Remigio R Montero;
PUBLISHED: 2010, SOURCE: Toxicology Letters, VOLUME: 196
INDEXED IN: 
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CrossRef493
TITLE: Unusual Color Change of Vinylpyranoanthocyanin-Phenolic Pigments Full Text
AUTHORS: Alexandre R F Carvalho ; Joana Oliveira ; Victor de Freitas ; Nuno Mateus ; Andre Melo ;
PUBLISHED: 2010, SOURCE: JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, VOLUME: 58, ISSUE: 7, PAGES: 4292-4297
AUTHORS: Alexandre R F Carvalho ; Joana Oliveira ; Victor de Freitas ; Nuno Mateus ; Andre Melo ;
PUBLISHED: 2010, SOURCE: JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, VOLUME: 58, ISSUE: 7, PAGES: 4292-4297
494
TITLE: Validated predictive QSAR modeling of N-aryl-oxazolidinone-5-carboxamides for anti-HIV protease activity Full Text
AUTHORS: Halder, AK ; Jha, T;
PUBLISHED: 2010, SOURCE: Bioorganic and Medicinal Chemistry Letters, VOLUME: 20, ISSUE: 20, PAGES: 6082-6087
AUTHORS: Halder, AK ; Jha, T;
PUBLISHED: 2010, SOURCE: Bioorganic and Medicinal Chemistry Letters, VOLUME: 20, ISSUE: 20, PAGES: 6082-6087
495
TITLE: Water adsorption and dissociation on the Au(321) stepped surface Full Text
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2010, SOURCE: 9th National Meeting of Physical Chemistry in JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 946, ISSUE: 1-3, PAGES: 51-56
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2010, SOURCE: 9th National Meeting of Physical Chemistry in JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, VOLUME: 946, ISSUE: 1-3, PAGES: 51-56
496
TITLE: 3D entropy and moments prediction of enzyme classes and experimental-theoretic study of peptide fingerprints in <i>Leishmania</i> parasites
AUTHORS: Concu, R ; Dea Ayuela, MA; Perez Montoto, LG; Prado Prado, FJ; Uriarte, E; Bolás Fernández, F; Podda, G; Pazos, A; Munteanu, CR; Ubeira, FM; González Díaz, H;
PUBLISHED: 2009, SOURCE: BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS, VOLUME: 1794, ISSUE: 12, PAGES: 1784-1794
AUTHORS: Concu, R ; Dea Ayuela, MA; Perez Montoto, LG; Prado Prado, FJ; Uriarte, E; Bolás Fernández, F; Podda, G; Pazos, A; Munteanu, CR; Ubeira, FM; González Díaz, H;
PUBLISHED: 2009, SOURCE: BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS, VOLUME: 1794, ISSUE: 12, PAGES: 1784-1794
497
TITLE: A TOPological Sub-structural Molecular Design (TOPS-MODE)-QSAR approach for modeling the antiproliferative activity against murine leukemia tumor cell line (L1210) Full Text
AUTHORS: Reinaldo Molina Ruiz; Liane Saiz Urra; Rodriguez Borges, JE ; Yunierkis Perez Castillo; Maykel P Perez Gonzalez; Xerardo Garcia Mera; Natalia N D S Cordeiro ;
PUBLISHED: 2009, SOURCE: BIOORGANIC & MEDICINAL CHEMISTRY, VOLUME: 17, ISSUE: 2, PAGES: 537-547
AUTHORS: Reinaldo Molina Ruiz; Liane Saiz Urra; Rodriguez Borges, JE ; Yunierkis Perez Castillo; Maykel P Perez Gonzalez; Xerardo Garcia Mera; Natalia N D S Cordeiro ;
PUBLISHED: 2009, SOURCE: BIOORGANIC & MEDICINAL CHEMISTRY, VOLUME: 17, ISSUE: 2, PAGES: 537-547
498
TITLE: Comparative QSAR modelling of 2-phenylindole-3-carbaldehyde derivatives as potential antimitotic agents Full Text
AUTHORS: Halder, AK ; Adhikari, N; Jha, T;
PUBLISHED: 2009, SOURCE: Bioorganic and Medicinal Chemistry Letters, VOLUME: 19, ISSUE: 6, PAGES: 1737-1739
AUTHORS: Halder, AK ; Adhikari, N; Jha, T;
PUBLISHED: 2009, SOURCE: Bioorganic and Medicinal Chemistry Letters, VOLUME: 19, ISSUE: 6, PAGES: 1737-1739
499
TITLE: Computational chemistry study of 3D-structure-function relationships for enzymes based on Markov models for protein electrostatic, HINT, and van der Waals potentials Full Text
AUTHORS: Riccardo Concu ; Gianni Podda; Eugenio Uriarte; Humberto González-Díaz;
PUBLISHED: 2009, SOURCE: Journal of Computational Chemistry, VOLUME: 30, ISSUE: 9, PAGES: 1510-1520
AUTHORS: Riccardo Concu ; Gianni Podda; Eugenio Uriarte; Humberto González-Díaz;
PUBLISHED: 2009, SOURCE: Journal of Computational Chemistry, VOLUME: 30, ISSUE: 9, PAGES: 1510-1520
500
TITLE: Convenient QSAR model for predicting the complexation of structurally diverse compounds with beta-cyclodextrins Full Text
AUTHORS: Alfonso Perez Garrido; Aliuska M Morales Helguera; Adela A Abellan Guillen; Natalia N D S Cordeiro ; Amalio G Garrido Escudero;
PUBLISHED: 2009, SOURCE: BIOORGANIC & MEDICINAL CHEMISTRY, VOLUME: 17, ISSUE: 2, PAGES: 896-904
AUTHORS: Alfonso Perez Garrido; Aliuska M Morales Helguera; Adela A Abellan Guillen; Natalia N D S Cordeiro ; Amalio G Garrido Escudero;
PUBLISHED: 2009, SOURCE: BIOORGANIC & MEDICINAL CHEMISTRY, VOLUME: 17, ISSUE: 2, PAGES: 896-904
