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
421
TITLE: Chemometric modeling and pharmacophore mapping in coronary heart disease: 2-arylbenzoxazoles as cholesteryl ester transfer protein inhibitors
AUTHORS: Jana, D; Halder, AK ; Adhikari, N; Maiti, MK; Mondal, C; Jha, T;
PUBLISHED: 2011, SOURCE: MedChemComm, VOLUME: 2, ISSUE: 9, PAGES: 840-852
AUTHORS: Jana, D; Halder, AK ; Adhikari, N; Maiti, MK; Mondal, C; Jha, T;
PUBLISHED: 2011, SOURCE: MedChemComm, VOLUME: 2, ISSUE: 9, PAGES: 840-852
422
TITLE: Current Computational Approaches Towards the Rational Design of New Insecticidal Agents
AUTHORS: Alejandro Speck Planche; Maria Natalia D S Dias Soeiro Cordeiro ; Lisvey Guilarte Montero; Reider Yera Bueno;
PUBLISHED: 2011, SOURCE: CURRENT COMPUTER-AIDED DRUG DESIGN, VOLUME: 7, ISSUE: 4, PAGES: 304-314
AUTHORS: Alejandro Speck Planche; Maria Natalia D S Dias Soeiro Cordeiro ; Lisvey Guilarte Montero; Reider Yera Bueno;
PUBLISHED: 2011, SOURCE: CURRENT COMPUTER-AIDED DRUG DESIGN, VOLUME: 7, ISSUE: 4, PAGES: 304-314
INDEXED IN: 
Scopus 
WOS
Scopus WOS423
TITLE: Current Drug Design of Anti-HIV Agents Through the Inhibition of C-C Chemokine Receptor Type 5
AUTHORS: Alejandro Speck Planche; Maria Natalia D S Dias Soeiro Cordeiro ;
PUBLISHED: 2011, SOURCE: CURRENT COMPUTER-AIDED DRUG DESIGN, VOLUME: 7, ISSUE: 4, PAGES: 238-248
AUTHORS: Alejandro Speck Planche; Maria Natalia D S Dias Soeiro Cordeiro ;
PUBLISHED: 2011, SOURCE: CURRENT COMPUTER-AIDED DRUG DESIGN, VOLUME: 7, ISSUE: 4, PAGES: 238-248
INDEXED IN: Scopus WOS
Scopus WOS424
TITLE: DFT study on the NO oxidation on a flat gold surface model Full Text
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2011, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 503, ISSUE: 1-3, PAGES: 129-133
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2011, SOURCE: CHEMICAL PHYSICS LETTERS, VOLUME: 503, ISSUE: 1-3, PAGES: 129-133
425
TITLE: Effects of Coagulase-Negative Staphylococci and Fibrin on Breast Capsule Formation in a Rabbit Model
AUTHORS: Marisa Marques ; Spencer A Brown; Natalia D S Cordeiro ; Pedro Rodrigues Pereira; Luis Cobrado, ML ; Aliuska Morales Helguera; Lara Queiros; Andre Luis; Rui Freitas; Acacio Goncalves Rodrigues ; Jose Amarante ;
PUBLISHED: 2011, SOURCE: AESTHETIC SURGERY JOURNAL, VOLUME: 31, ISSUE: 4, PAGES: 420-428
AUTHORS: Marisa Marques ; Spencer A Brown; Natalia D S Cordeiro ; Pedro Rodrigues Pereira; Luis Cobrado, ML ; Aliuska Morales Helguera; Lara Queiros; Andre Luis; Rui Freitas; Acacio Goncalves Rodrigues ; Jose Amarante ;
PUBLISHED: 2011, SOURCE: AESTHETIC SURGERY JOURNAL, VOLUME: 31, ISSUE: 4, PAGES: 420-428
426
TITLE: Effects of Fibrin, Thrombin, and Blood on Breast Capsule Formation in a Preclinical Model
AUTHORS: Marisa Marques ; Spencer A Brown; Natalia D S Cordeiro ; Pedro Rodrigues Pereira; Luis Cobrado, ML ; Aliuska Morales Helguera; Nuno Lima; Andre Luis; Mario Mendanha; Acacio Goncalves Rodrigues ; Jose Amarante ;
PUBLISHED: 2011, SOURCE: AESTHETIC SURGERY JOURNAL, VOLUME: 31, ISSUE: 3, PAGES: 302-309
AUTHORS: Marisa Marques ; Spencer A Brown; Natalia D S Cordeiro ; Pedro Rodrigues Pereira; Luis Cobrado, ML ; Aliuska Morales Helguera; Nuno Lima; Andre Luis; Mario Mendanha; Acacio Goncalves Rodrigues ; Jose Amarante ;
PUBLISHED: 2011, SOURCE: AESTHETIC SURGERY JOURNAL, VOLUME: 31, ISSUE: 3, PAGES: 302-309
427
TITLE: Fragment-based QSAR model toward the selection of versatile anti-sarcoma leads Full Text
AUTHORS: Alejandro Speck Planche; Valeria V Kleandrova; Feng Luan; Natalia N D S Cordeiro ;
PUBLISHED: 2011, SOURCE: EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, VOLUME: 46, ISSUE: 12, PAGES: 5910-5916
AUTHORS: Alejandro Speck Planche; Valeria V Kleandrova; Feng Luan; Natalia N D S Cordeiro ;
PUBLISHED: 2011, SOURCE: EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, VOLUME: 46, ISSUE: 12, PAGES: 5910-5916
428
TITLE: Hydration Structure of Cocaine and its Metabolites: A Molecular Dynamics Study Full Text
AUTHORS: Rincon, DA; Jorge, M; Cordeiro, MNDS ; Mosquera, RA; Borges, F ;
PUBLISHED: 2011, SOURCE: JOURNAL OF SOLUTION CHEMISTRY, VOLUME: 40, ISSUE: 4, PAGES: 656-679
AUTHORS: Rincon, DA; Jorge, M; Cordeiro, MNDS ; Mosquera, RA; Borges, F ;
PUBLISHED: 2011, SOURCE: JOURNAL OF SOLUTION CHEMISTRY, VOLUME: 40, ISSUE: 4, PAGES: 656-679
429
TITLE: Jointly Handling Potency and Toxicity of Antimicrobial Peptidomimetics by Simple Rules from Desirability Theory and Chemoinformatics Full Text
AUTHORS: Cruz Monteagudo, M ; Borges, F ; Cordeiro, MNDS ;
PUBLISHED: 2011, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 51, ISSUE: 12, PAGES: 3060-3077
AUTHORS: Cruz Monteagudo, M ; Borges, F ; Cordeiro, MNDS ;
PUBLISHED: 2011, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 51, ISSUE: 12, PAGES: 3060-3077
430
TITLE: Molecular Dynamics Simulations of Pregelification Mixtures for the Production of Imprinted Xerogels Full Text
AUTHORS: Manuel Azenha ; Borys Szefczyk ; Dianne Loureiro; Porkodi Kathirvel ; Natalia N D S Cordeiro ; Antonio Fernando Silva ;
PUBLISHED: 2011, SOURCE: LANGMUIR, VOLUME: 27, ISSUE: 8, PAGES: 5062-5070
AUTHORS: Manuel Azenha ; Borys Szefczyk ; Dianne Loureiro; Porkodi Kathirvel ; Natalia N D S Cordeiro ; Antonio Fernando Silva ;
PUBLISHED: 2011, SOURCE: LANGMUIR, VOLUME: 27, ISSUE: 8, PAGES: 5062-5070
431
TITLE: Molecular Dynamics Study of Hydrated Poly(ethylene oxide) Chains Grafted on Siloxane Surface Full Text
AUTHORS: Zuzana Benkova ; Borys Szefczyk ; Natalia N D S Cordeiro ;
PUBLISHED: 2011, SOURCE: MACROMOLECULES, VOLUME: 44, ISSUE: 9, PAGES: 3639-3648
AUTHORS: Zuzana Benkova ; Borys Szefczyk ; Natalia N D S Cordeiro ;
PUBLISHED: 2011, SOURCE: MACROMOLECULES, VOLUME: 44, ISSUE: 9, PAGES: 3639-3648
432
TITLE: Molecular Dynamics Study of Water Interacting with Siloxane Surface Modified by Poly(ethylene oxide) Chains
AUTHORS: Zuzana Benkova ; Natalia N D S Cordeiro ;
PUBLISHED: 2011, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 115, ISSUE: 38, PAGES: 18740-18751
AUTHORS: Zuzana Benkova ; Natalia N D S Cordeiro ;
PUBLISHED: 2011, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 115, ISSUE: 38, PAGES: 18740-18751
433
TITLE: Multi-target drug discovery in anti-cancer therapy: Fragment-based approach toward the design of potent and versatile anti-prostate cancer agents Full Text
AUTHORS: Alejandro Speck Planche; Valeria V Kleandrova; Feng Luan; Natalia N D S Cordeiro ;
PUBLISHED: 2011, SOURCE: BIOORGANIC & MEDICINAL CHEMISTRY, VOLUME: 19, ISSUE: 21, PAGES: 6239-6244
AUTHORS: Alejandro Speck Planche; Valeria V Kleandrova; Feng Luan; Natalia N D S Cordeiro ;
PUBLISHED: 2011, SOURCE: BIOORGANIC & MEDICINAL CHEMISTRY, VOLUME: 19, ISSUE: 21, PAGES: 6239-6244
434
TITLE: On the Contribution of Intramolecular Kinetics Properties of an Important Rotamer of Vinylpyranoanthocyanin-Phenol Pigment (Portisin) Full Text
AUTHORS: Alexandre R F Carvalho ; Joana Oliveira ; Victor de Freitas ; Nuno Mateus ; Andre Melo ;
PUBLISHED: 2011, SOURCE: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 111, ISSUE: 7-8, PAGES: 1355-1360
AUTHORS: Alexandre R F Carvalho ; Joana Oliveira ; Victor de Freitas ; Nuno Mateus ; Andre Melo ;
PUBLISHED: 2011, SOURCE: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 111, ISSUE: 7-8, PAGES: 1355-1360
435
TITLE: On the theoretical understanding of the unexpected O-2 activation by nanoporous gold Full Text
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2011, SOURCE: CHEMICAL COMMUNICATIONS, VOLUME: 47, ISSUE: 29, PAGES: 8403-8405
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ;
PUBLISHED: 2011, SOURCE: CHEMICAL COMMUNICATIONS, VOLUME: 47, ISSUE: 29, PAGES: 8403-8405
436
TITLE: Physical Properties at the Base for the Development of an All-Atom Force Field for Ethylene Glycol
AUTHORS: Borys Szefczyk ; Natalia N D S Cordeiro ;
PUBLISHED: 2011, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 115, ISSUE: 12, PAGES: 3013-3019
AUTHORS: Borys Szefczyk ; Natalia N D S Cordeiro ;
PUBLISHED: 2011, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 115, ISSUE: 12, PAGES: 3013-3019
437
TITLE: Response to "Comment on 'Uncertainties in scaling factors for ab initio vibrational zero-point energies' and 'Calibration sets and the accuracy of vibrational scaling factors: A case study with the X3LYP hybrid functional'" [J. Chem. Phys. 134, 167101 (2011)] Full Text
AUTHORS: Filipe Teixeira ; Andre Melo ; Natalia N D S Cordeiro ;
PUBLISHED: 2011, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 134, ISSUE: 16, PAGES: 167103
AUTHORS: Filipe Teixeira ; Andre Melo ; Natalia N D S Cordeiro ;
PUBLISHED: 2011, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 134, ISSUE: 16, PAGES: 167103
438
TITLE: Review of Computer-Aided Models for Predicting Collagen Stability
AUTHORS: Riccardo Concu ; Gianni Podda; Humberto Gonzalez-Diaz; Bairong Shen;
PUBLISHED: 2011, SOURCE: Current Computer Aided-Drug Design, VOLUME: 7, ISSUE: 4, PAGES: 287-303
AUTHORS: Riccardo Concu ; Gianni Podda; Humberto Gonzalez-Diaz; Bairong Shen;
PUBLISHED: 2011, SOURCE: Current Computer Aided-Drug Design, VOLUME: 7, ISSUE: 4, PAGES: 287-303
439
TITLE: Solvation Free Energy Profile of the SCN- Ion across the Water-1,2-Dichloroethane Liquid/Liquid Interface. A Computer Simulation Study
AUTHORS: Maria Darvas; Miguel Jorge; Natalia N D S Cordeiro ; Pal Jedlovszky;
PUBLISHED: 2011, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 115, ISSUE: 22, PAGES: 11140-11146
AUTHORS: Maria Darvas; Miguel Jorge; Natalia N D S Cordeiro ; Pal Jedlovszky;
PUBLISHED: 2011, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 115, ISSUE: 22, PAGES: 11140-11146
440
TITLE: Structural and Thermodynamic Characterization of Polyphenylbenzenes
AUTHORS: Carlos F R A C Lima ; Marisa A A Rocha; Andre Melo ; Ligia R Gomes ; John N Low; Luis M N B F Santos ;
PUBLISHED: 2011, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 115, ISSUE: 42, PAGES: 11876-11888
AUTHORS: Carlos F R A C Lima ; Marisa A A Rocha; Andre Melo ; Ligia R Gomes ; John N Low; Luis M N B F Santos ;
PUBLISHED: 2011, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 115, ISSUE: 42, PAGES: 11876-11888
