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: 646
15 Team MembersFilters -> Year: 2026
421
TITLE: Abelson Tyrosine-Protein Kinase 1 as Principal Target for Drug Discovery Against Leukemias. Role of the Current Computer-Aided Drug Design Methodologies
AUTHORS: Alejandro Speck Planche; Feng Luan; Cordeiro, MNDS ;
PUBLISHED: 2012, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 12, ISSUE: 24, PAGES: 2745-2762
AUTHORS: Alejandro Speck Planche; Feng Luan; Cordeiro, MNDS ;
PUBLISHED: 2012, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 12, ISSUE: 24, PAGES: 2745-2762
INDEXED IN: 
Scopus 
WOS
Scopus WOS422
TITLE: Acetonitrile Boosts Conductivity of Imidazolium Ionic Liquids
AUTHORS: Vitaly V Chaban; Iuliia V Voroshyloya ; Oleg N Kalugin; Oleg V Prezhdo;
PUBLISHED: 2012, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 116, ISSUE: 26, PAGES: 7719-7727
AUTHORS: Vitaly V Chaban; Iuliia V Voroshyloya ; Oleg N Kalugin; Oleg V Prezhdo;
PUBLISHED: 2012, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 116, ISSUE: 26, PAGES: 7719-7727
423
TITLE: Bridging chemical and biological space: QSAR probing using 3D molecular descriptors
AUTHORS: Cordeiroa, MNDS ; Borges, F ; Helguera, AM;
PUBLISHED: 2012, SOURCE: Recent Trends on QSAR in the Pharmaeutical Perceptions, PAGES: 119-193
AUTHORS: Cordeiroa, MNDS ; Borges, F ; Helguera, AM;
PUBLISHED: 2012, SOURCE: Recent Trends on QSAR in the Pharmaeutical Perceptions, PAGES: 119-193
424
TITLE: Chemoinformatics in anti-cancer chemotherapy: Multi-target QSAR model for the in silico discovery of anti-breast cancer agents Full Text
AUTHORS: Alejandro Speck Planche; Valeria V Kleandrova; Feng Luan; Natalia N D S Cordeiro ;
PUBLISHED: 2012, SOURCE: EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES, VOLUME: 47, ISSUE: 1, PAGES: 273-279
AUTHORS: Alejandro Speck Planche; Valeria V Kleandrova; Feng Luan; Natalia N D S Cordeiro ;
PUBLISHED: 2012, SOURCE: EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES, VOLUME: 47, ISSUE: 1, PAGES: 273-279
425
TITLE: Chemoinformatics in Multi-target Drug Discovery for Anti-cancer Therapy: In Silico Design of Potent and Versatile Anti-brain Tumor Agents
AUTHORS: Alejandro Speck-Planche; Valeria V. Kleandrova; Feng Luan; Natalia D. S. Cordeiro, M ;
PUBLISHED: 2012, SOURCE: Anti-Cancer Agents in Medicinal Chemistry, VOLUME: 12, ISSUE: 6, PAGES: 678-685
AUTHORS: Alejandro Speck-Planche; Valeria V. Kleandrova; Feng Luan; Natalia D. S. Cordeiro, M ;
PUBLISHED: 2012, SOURCE: Anti-Cancer Agents in Medicinal Chemistry, VOLUME: 12, ISSUE: 6, PAGES: 678-685
426
TITLE: Chemoinformatics in Multi-target Drug Discovery for Anti-cancer Therapy: In Silico Design of Potent and Versatile Anti-brain Tumor Agents
AUTHORS: Alejandro Speck Planche; Valeria V Kleandrova; Feng Luan; Natalia N D S Cordeiro ;
PUBLISHED: 2012, SOURCE: ANTI-CANCER AGENTS IN MEDICINAL CHEMISTRY, VOLUME: 12, ISSUE: 6, PAGES: 678-685
AUTHORS: Alejandro Speck Planche; Valeria V Kleandrova; Feng Luan; Natalia N D S Cordeiro ;
PUBLISHED: 2012, SOURCE: ANTI-CANCER AGENTS IN MEDICINAL CHEMISTRY, VOLUME: 12, ISSUE: 6, PAGES: 678-685
INDEXED IN: Scopus WOS
Scopus WOS427
TITLE: Chemometric modeling of 5-Phenylthiophenecarboxylic acid derivatives as anti-rheumatic agents
AUTHORS: Adhikari, N; Jana, D; Halder, AK ; Mondal, C; Maiti, MK; Jha, T;
PUBLISHED: 2012, SOURCE: Current Computer-Aided Drug Design, VOLUME: 8, ISSUE: 3, PAGES: 182-195
AUTHORS: Adhikari, N; Jana, D; Halder, AK ; Mondal, C; Maiti, MK; Jha, T;
PUBLISHED: 2012, SOURCE: Current Computer-Aided Drug Design, VOLUME: 8, ISSUE: 3, PAGES: 182-195
428
TITLE: Computer-Aided Drug Design Methodologies Toward the Design of Anti-Hepatitis C Agents
AUTHORS: Alejandro Speck Planche; Natalia N D S Cordeiro ;
PUBLISHED: 2012, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 12, ISSUE: 8, PAGES: 802-813
AUTHORS: Alejandro Speck Planche; Natalia N D S Cordeiro ;
PUBLISHED: 2012, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 12, ISSUE: 8, PAGES: 802-813
429
TITLE: Computer-Aided Drug Design, Synthesis and Evaluation of New Anti-Cancer Drugs
AUTHORS: Natalia. N D S Cordeiro ; Alejandro Speck Planche;
PUBLISHED: 2012, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 12, ISSUE: 24, PAGES: 2703-2704
AUTHORS: Natalia. N D S Cordeiro ; Alejandro Speck Planche;
PUBLISHED: 2012, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 12, ISSUE: 24, PAGES: 2703-2704
INDEXED IN: Scopus WOS
Scopus WOS430
TITLE: Density functional theory model study of size and structure effects on water dissociation by platinum nanoparticles Full Text
AUTHORS: Jose L C Fajin ; Albert Bruix; Maria Natalia D S Cordeiro ; Jose R B Gomes ; Francesc Illas;
PUBLISHED: 2012, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 137, ISSUE: 3, PAGES: 034701
AUTHORS: Jose L C Fajin ; Albert Bruix; Maria Natalia D S Cordeiro ; Jose R B Gomes ; Francesc Illas;
PUBLISHED: 2012, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 137, ISSUE: 3, PAGES: 034701
431
TITLE: Desirability-Based Multi-Objective QSAR in Drug Discovery
AUTHORS: Maykel Cruz Monteagudo ; Natalia N D S Cordeiro ; Eduardo Tejera ; Elena R Rosa Dominguez; Fernanda Borges ;
PUBLISHED: 2012, SOURCE: MINI-REVIEWS IN MEDICINAL CHEMISTRY, VOLUME: 12, ISSUE: 10, PAGES: 920-935
AUTHORS: Maykel Cruz Monteagudo ; Natalia N D S Cordeiro ; Eduardo Tejera ; Elena R Rosa Dominguez; Fernanda Borges ;
PUBLISHED: 2012, SOURCE: MINI-REVIEWS IN MEDICINAL CHEMISTRY, VOLUME: 12, ISSUE: 10, PAGES: 920-935
432
TITLE: Discovery of Anti-Alzheimer Agents: Current Ligand-Based Approaches toward the Design of Acetylcholinesterase Inhibitors
AUTHORS: Speck-Planche, A; Luan, F; N.D.S. Cordeiro, M ;
PUBLISHED: 2012, SOURCE: Mini-Reviews in Medicinal Chemistry, VOLUME: 12, ISSUE: 6, PAGES: 583-591
AUTHORS: Speck-Planche, A; Luan, F; N.D.S. Cordeiro, M ;
PUBLISHED: 2012, SOURCE: Mini-Reviews in Medicinal Chemistry, VOLUME: 12, ISSUE: 6, PAGES: 583-591
433
TITLE: Discovery of Anti-Alzheimer Agents: Current Ligand-Based Approaches toward the Design of Acetylcholinesterase Inhibitors
AUTHORS: Speck Planche, A; Luan, F; Cordeiro, MNDS ;
PUBLISHED: 2012, SOURCE: MINI-REVIEWS IN MEDICINAL CHEMISTRY, VOLUME: 12, ISSUE: 6, PAGES: 583-591
AUTHORS: Speck Planche, A; Luan, F; Cordeiro, MNDS ;
PUBLISHED: 2012, SOURCE: MINI-REVIEWS IN MEDICINAL CHEMISTRY, VOLUME: 12, ISSUE: 6, PAGES: 583-591
INDEXED IN: Scopus WOS
Scopus WOS434
TITLE: Discovery of MAO-B Inhibitors - Present Status and Future Directions Part I: Oxygen Heterocycles and Analogs
AUTHORS: Helguera, AM; Perez Machado, G; Cordeiro, MNDS ; Borges, F ;
PUBLISHED: 2012, SOURCE: MINI-REVIEWS IN MEDICINAL CHEMISTRY, VOLUME: 12, ISSUE: 10, PAGES: 907-919
AUTHORS: Helguera, AM; Perez Machado, G; Cordeiro, MNDS ; Borges, F ;
PUBLISHED: 2012, SOURCE: MINI-REVIEWS IN MEDICINAL CHEMISTRY, VOLUME: 12, ISSUE: 10, PAGES: 907-919
435
TITLE: From QSAR models of Drugs to Complex Networks: State-of-Art Review and Introduction of New Markov-Spectral Moments Indices
AUTHORS: Pablo Riera-Fernandez; Raquel Martin-Romalde; Francisco J Prado-Prado; Manuel Escobar; Cristian R. Munteanu; Riccardo Concu ; Aliuska Duardo-Sanchez; Humberto Gonzalez-Diaz;
PUBLISHED: 2012, SOURCE: Current Topics in Medicinal Chemistry, VOLUME: 12, ISSUE: 8, PAGES: 927-960
AUTHORS: Pablo Riera-Fernandez; Raquel Martin-Romalde; Francisco J Prado-Prado; Manuel Escobar; Cristian R. Munteanu; Riccardo Concu ; Aliuska Duardo-Sanchez; Humberto Gonzalez-Diaz;
PUBLISHED: 2012, SOURCE: Current Topics in Medicinal Chemistry, VOLUME: 12, ISSUE: 8, PAGES: 927-960
436
TITLE: Generalized String Pseudo-Folding Lattices in Bioinformatics: State-of-Art Review, New Model for Enzyme Sub-Classes, and Study of ESTs on Trichinella spiralis
AUTHORS: Humberto Gonzalez-Diaz; Riccardo Concu ; Lazaro G. Perez-Montoto; Florencio M. Ubeira; Fernanda Romaris; Esperanza Paniagua; Duardo-Sanchez, A; Francisco Prado-Prado;
PUBLISHED: 2012, SOURCE: Current Bioinformatics, VOLUME: 7, ISSUE: 1, PAGES: 7-34
AUTHORS: Humberto Gonzalez-Diaz; Riccardo Concu ; Lazaro G. Perez-Montoto; Florencio M. Ubeira; Fernanda Romaris; Esperanza Paniagua; Duardo-Sanchez, A; Francisco Prado-Prado;
PUBLISHED: 2012, SOURCE: Current Bioinformatics, VOLUME: 7, ISSUE: 1, PAGES: 7-34
437
TITLE: In Silico Discovery and Virtual Screening of Multi-Target Inhibitors for Proteins in Mycobacterium tuberculosis
AUTHORS: Alejandro Speck Planche; Valeria V Kleandrova; Feng Luan; Natalia N D S Cordeiro ;
PUBLISHED: 2012, SOURCE: COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, VOLUME: 15, ISSUE: 8, PAGES: 666-673
AUTHORS: Alejandro Speck Planche; Valeria V Kleandrova; Feng Luan; Natalia N D S Cordeiro ;
PUBLISHED: 2012, SOURCE: COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, VOLUME: 15, ISSUE: 8, PAGES: 666-673
438
TITLE: Ionic and radical adsorption on the Au(hkl) surfaces: A DFT study Full Text
AUTHORS: Ana M Pessoa ; Jose L C Fajin ; Jose R B Gomes ; Natalia N D S Cordeiro ;
PUBLISHED: 2012, SOURCE: SURFACE SCIENCE, VOLUME: 606, ISSUE: 1-2, PAGES: 69-77
AUTHORS: Ana M Pessoa ; Jose L C Fajin ; Jose R B Gomes ; Natalia N D S Cordeiro ;
PUBLISHED: 2012, SOURCE: SURFACE SCIENCE, VOLUME: 606, ISSUE: 1-2, PAGES: 69-77
439
TITLE: Molecular Dynamics Study of Poly(Ethylene Oxide) Chains Densely Grafted on Siloxane Surface in Dry Conditions
AUTHORS: Zuzana Benkova ; Natalia N D S Cordeiro ;
PUBLISHED: 2012, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 116, ISSUE: 5, PAGES: 3576-3584
AUTHORS: Zuzana Benkova ; Natalia N D S Cordeiro ;
PUBLISHED: 2012, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 116, ISSUE: 5, PAGES: 3576-3584
440
TITLE: On the Need for Spin Polarization in Heterogeneously Catalyzed Reactions on Nonmagnetic Metallic Surfaces Full Text
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ; Francesc Illas;
PUBLISHED: 2012, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 8, ISSUE: 5, PAGES: 1737-1743
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes ; Francesc Illas;
PUBLISHED: 2012, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 8, ISSUE: 5, PAGES: 1737-1743
