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
301
TITLE: Unveiling the Pathogenic Molecular Mechanisms of the Most Common Variant (p.K329E) in Medium-Chain Acyl-CoA Dehydrogenase Deficiency by in Vitro and in Silico Approaches Full Text
AUTHORS: Catia A Bonito ; Joana Nunes; Joao Leandro; Filipa Louro; Paula Leandro ; Fatima V Ventura; Rita C Guedes;
PUBLISHED: 2016, SOURCE: BIOCHEMISTRY, VOLUME: 55, ISSUE: 51, PAGES: 7086-7098
AUTHORS: Catia A Bonito ; Joana Nunes; Joao Leandro; Filipa Louro; Paula Leandro ; Fatima V Ventura; Rita C Guedes;
PUBLISHED: 2016, SOURCE: BIOCHEMISTRY, VOLUME: 55, ISSUE: 51, PAGES: 7086-7098
302
TITLE: Building a New High-Selective Molecular Imprinted Polymer
AUTHORS: Riccardo Concu ; Maria Natalia Dias Soeiro Cordeiro ;
PUBLISHED: 2015, SOURCE: Proceedings of MOL2NET, International Conference on Multidisciplinary Sciences
AUTHORS: Riccardo Concu ; Maria Natalia Dias Soeiro Cordeiro ;
PUBLISHED: 2015, SOURCE: Proceedings of MOL2NET, International Conference on Multidisciplinary Sciences
INDEXED IN: 
CrossRef
CrossRef303
TITLE: Classification of Natural Estrogen-Like Isoflavonoids and Diphenolics by QSAR Tools
AUTHORS: Feng Luan; Yuxi X Lu; Huitao T Liu; Maria N D S Cordeiro ;
PUBLISHED: 2015, SOURCE: COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, VOLUME: 18, ISSUE: 8, PAGES: 712-722
AUTHORS: Feng Luan; Yuxi X Lu; Huitao T Liu; Maria N D S Cordeiro ;
PUBLISHED: 2015, SOURCE: COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, VOLUME: 18, ISSUE: 8, PAGES: 712-722
304
TITLE: Comparative validated molecular modeling of p53-HDM2 inhibitors as antiproliferative agents Full Text
AUTHORS: Mondal, C; Halder, AK ; Adhikari, N; Saha, A; Saha, KD; Gayen, S; Jha, T;
PUBLISHED: 2015, SOURCE: European Journal of Medicinal Chemistry, VOLUME: 90, PAGES: 860-875
AUTHORS: Mondal, C; Halder, AK ; Adhikari, N; Saha, A; Saha, KD; Gayen, S; Jha, T;
PUBLISHED: 2015, SOURCE: European Journal of Medicinal Chemistry, VOLUME: 90, PAGES: 860-875
305
TITLE: Competitive Paths for Methanol Decomposition on Ruthenium: A DFT Study
AUTHORS: Ana S Moura ; Jose L C Fajin ; Ana S S Pinto; Marcos Mandado; Natalia N D S Cordeiro ;
PUBLISHED: 2015, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 119, ISSUE: 49, PAGES: 27382-27391
AUTHORS: Ana S Moura ; Jose L C Fajin ; Ana S S Pinto; Marcos Mandado; Natalia N D S Cordeiro ;
PUBLISHED: 2015, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 119, ISSUE: 49, PAGES: 27382-27391
306
TITLE: Computational modeling in nanomedicine: prediction of multiple antibacterial profiles of nanoparticles using a quantitative structure-activity relationship perturbation model Full Text
AUTHORS: Alejandro Speck Planche; Valeria V Kleandrova; Feng Luan; Maria Natalia D S Cordeiro ;
PUBLISHED: 2015, SOURCE: NANOMEDICINE, VOLUME: 10, ISSUE: 2, PAGES: 193-204
AUTHORS: Alejandro Speck Planche; Valeria V Kleandrova; Feng Luan; Maria Natalia D S Cordeiro ;
PUBLISHED: 2015, SOURCE: NANOMEDICINE, VOLUME: 10, ISSUE: 2, PAGES: 193-204
307
TITLE: Computer-Aided Discovery in Antimicrobial Research: In Silico Model for Virtual Screening of Potent and Safe Anti-Pseudomonas Agents
AUTHORS: Alejandro Speck Planche; Maria N D S Cordeiro ;
PUBLISHED: 2015, SOURCE: COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, VOLUME: 18, ISSUE: 3, PAGES: 305-314
AUTHORS: Alejandro Speck Planche; Maria N D S Cordeiro ;
PUBLISHED: 2015, SOURCE: COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, VOLUME: 18, ISSUE: 3, PAGES: 305-314
INDEXED IN: 
Scopus 
WOS
Scopus WOS308
TITLE: Computer-Aided Discovery in Antimicrobial Research: In Silico Model for Virtual Screening of Potent and Safe Anti-Pseudomonas Agents
AUTHORS: Alejandro Speck-Planche; Maria Cordeiro ;
PUBLISHED: 2015, SOURCE: Combinatorial Chemistry & High Throughput Screening, VOLUME: 18, ISSUE: 3, PAGES: 305-314
AUTHORS: Alejandro Speck-Planche; Maria Cordeiro ;
PUBLISHED: 2015, SOURCE: Combinatorial Chemistry & High Throughput Screening, VOLUME: 18, ISSUE: 3, PAGES: 305-314
309
TITLE: Conductivity and association of imidazolium and pyridinium based ionic liquids in methanol Full Text
AUTHORS: Voroshylova, IV ; Smaga, SR; Lukinova, EV; Chaban, VV; Kalugin, ON;
PUBLISHED: 2015, SOURCE: Journal of Molecular Liquids, VOLUME: 203, PAGES: 7-15
AUTHORS: Voroshylova, IV ; Smaga, SR; Lukinova, EV; Chaban, VV; Kalugin, ON;
PUBLISHED: 2015, SOURCE: Journal of Molecular Liquids, VOLUME: 203, PAGES: 7-15
310
TITLE: Design of dual MMP-2/HDAC-8 inhibitors by pharmacophore mapping, molecular docking, synthesis and biological activity
AUTHORS: Halder, AK ; Mallick, S; Shikha, D; Saha, A; Saha, KD; Jha, T;
PUBLISHED: 2015, SOURCE: RSC Advances, VOLUME: 5, ISSUE: 88, PAGES: 72373-72386
AUTHORS: Halder, AK ; Mallick, S; Shikha, D; Saha, A; Saha, KD; Jha, T;
PUBLISHED: 2015, SOURCE: RSC Advances, VOLUME: 5, ISSUE: 88, PAGES: 72373-72386
311
TITLE: Diarylferrocene tweezers for cation binding
AUTHORS: Carlos F R A C Lima ; Ana M Fernandes; Andre Melo ; Luis M Goncalves; Artur M S Silva ; Luis M N B F Santos ;
PUBLISHED: 2015, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 17, ISSUE: 37, PAGES: 23917-23923
AUTHORS: Carlos F R A C Lima ; Ana M Fernandes; Andre Melo ; Luis M Goncalves; Artur M S Silva ; Luis M N B F Santos ;
PUBLISHED: 2015, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 17, ISSUE: 37, PAGES: 23917-23923
312
TITLE: Editorial (Thematic Issue: Multi-Target Drug Discovery in Medicinal Chemistry: Current Status and Future Perspectives)
AUTHORS: Alejandro Speck-Planche; Cordeiro, M ;
PUBLISHED: 2015, SOURCE: Mini-Reviews in Medicinal Chemistry, VOLUME: 15, ISSUE: 8, PAGES: 606-607
AUTHORS: Alejandro Speck-Planche; Cordeiro, M ;
PUBLISHED: 2015, SOURCE: Mini-Reviews in Medicinal Chemistry, VOLUME: 15, ISSUE: 8, PAGES: 606-607
313
TITLE: Effect of replacing [NTf2] by [PF6] anion on the [BMIm][NTf2] ionic liquid confined by gold Full Text
AUTHORS: Daniel J V A dos Santos ; Natalia N D S Cordeiro ;
PUBLISHED: 2015, SOURCE: MOLECULAR SIMULATION, VOLUME: 41, ISSUE: 5-6, PAGES: 455-462
AUTHORS: Daniel J V A dos Santos ; Natalia N D S Cordeiro ;
PUBLISHED: 2015, SOURCE: MOLECULAR SIMULATION, VOLUME: 41, ISSUE: 5-6, PAGES: 455-462
314
TITLE: Effect of Self-Association on the Phase Stability of Triphenylamine Derivatives
AUTHORS: Carlos F R A C Lima ; José C. S. Costa ; Andre Melo ; Hilario R Tavares; Artur M S Silva ; Luis M N B F Santos ;
PUBLISHED: 2015, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 119, ISSUE: 25, PAGES: 6676-6682
AUTHORS: Carlos F R A C Lima ; José C. S. Costa ; Andre Melo ; Hilario R Tavares; Artur M S Silva ; Luis M N B F Santos ;
PUBLISHED: 2015, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 119, ISSUE: 25, PAGES: 6676-6682
315
TITLE: Effect of van der Waals interactions in the DFT description of self-assembled monolayers of thiols on gold Full Text
AUTHORS: Fajin, JLC ; Teixeira, F ; Gomes, JRB; Cordeiro, MNDS ;
PUBLISHED: 2015, SOURCE: THEORETICAL CHEMISTRY ACCOUNTS, VOLUME: 134, ISSUE: 5
AUTHORS: Fajin, JLC ; Teixeira, F ; Gomes, JRB; Cordeiro, MNDS ;
PUBLISHED: 2015, SOURCE: THEORETICAL CHEMISTRY ACCOUNTS, VOLUME: 134, ISSUE: 5
316
TITLE: Effect of van der Waals interactions in the DFT description of self-assembled monolayers of thiols on gold
AUTHORS: José L C Fajín ; Filipe Teixeira; José R B Gomes; Natália N D S Cordeiro;
PUBLISHED: 2015, SOURCE: 9th Congress on Electronic Structure: Principles and Applications (ESPA 2014), PAGES: 127-139
AUTHORS: José L C Fajín ; Filipe Teixeira; José R B Gomes; Natália N D S Cordeiro;
PUBLISHED: 2015, SOURCE: 9th Congress on Electronic Structure: Principles and Applications (ESPA 2014), PAGES: 127-139
INDEXED IN: CrossRef
CrossRef317
TITLE: Enabling Virtual Screening of Potent and Safer Antimicrobial Agents Against Noma: mtk-QSBER Model for Simultaneous Prediction of Antibacterial Activities and ADMET Properties
AUTHORS: Alejandro Speck Planche; Cordeiro, MNDS ;
PUBLISHED: 2015, SOURCE: MINI-REVIEWS IN MEDICINAL CHEMISTRY, VOLUME: 15, ISSUE: 3, PAGES: 194-202
AUTHORS: Alejandro Speck Planche; Cordeiro, MNDS ;
PUBLISHED: 2015, SOURCE: MINI-REVIEWS IN MEDICINAL CHEMISTRY, VOLUME: 15, ISSUE: 3, PAGES: 194-202
318
TITLE: Fischer-Tropsch Synthesis on Multicomponent Catalysts: What Can We Learn from Computer Simulations? Full Text
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes;
PUBLISHED: 2015, SOURCE: CATALYSTS, VOLUME: 5, ISSUE: 1, PAGES: 3-17
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes;
PUBLISHED: 2015, SOURCE: CATALYSTS, VOLUME: 5, ISSUE: 1, PAGES: 3-17
319
TITLE: Harmonization of QSAR Best Practices and Molecular Docking Provides an Efficient Virtual Screening Tool for Discovering New G-Quadruplex Ligands Full Text
AUTHORS: Daimel Castillo Gonzalez; Jean Louis Mergny; Aurore De Rache; Gisselle Perez Machado; Miguel A Angel Cabrera Perez; Orazio Nicolotti; Antonellina Introcaso; Giuseppe Felice Mangiatordi; Aurore Guedin; Anne Bourdoncle; Teresa Garrigues; Federico Pallardo; Natalia N D S Cordeiro ; Cesar Paz y Mino; Eduardo Tejera; Fernanda Borges ; Maykel Cruz Monteagudo;
PUBLISHED: 2015, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 55, ISSUE: 10, PAGES: 2094-2110
AUTHORS: Daimel Castillo Gonzalez; Jean Louis Mergny; Aurore De Rache; Gisselle Perez Machado; Miguel A Angel Cabrera Perez; Orazio Nicolotti; Antonellina Introcaso; Giuseppe Felice Mangiatordi; Aurore Guedin; Anne Bourdoncle; Teresa Garrigues; Federico Pallardo; Natalia N D S Cordeiro ; Cesar Paz y Mino; Eduardo Tejera; Fernanda Borges ; Maykel Cruz Monteagudo;
PUBLISHED: 2015, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 55, ISSUE: 10, PAGES: 2094-2110
320
TITLE: In Silico Assessment of the Acute Toxicity of Chemicals: Recent Advances and New Model for Multitasking Prediction of Toxic Effect
AUTHORS: Valeria V Kleandrova; Feng Luan; Alejandro Speck Planche; Natalia N D S Cordeiro ;
PUBLISHED: 2015, SOURCE: MINI-REVIEWS IN MEDICINAL CHEMISTRY, VOLUME: 15, ISSUE: 8, PAGES: 677-686
AUTHORS: Valeria V Kleandrova; Feng Luan; Alejandro Speck Planche; Natalia N D S Cordeiro ;
PUBLISHED: 2015, SOURCE: MINI-REVIEWS IN MEDICINAL CHEMISTRY, VOLUME: 15, ISSUE: 8, PAGES: 677-686
