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
261
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 WOS262
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
263
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
264
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
265
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
266
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
267
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
268
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
269
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
270
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
CrossRef271
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
272
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
273
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
274
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
275
TITLE: Ligand-and structure-based drug design of non-steroidal aromatase inhibitors (NSAIs) in breast cancer
AUTHORS: Jha, T; Adhikari, N; Halder, AK ; Saha, A;
PUBLISHED: 2015, SOURCE: Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment, PAGES: 400-470
AUTHORS: Jha, T; Adhikari, N; Halder, AK ; Saha, A;
PUBLISHED: 2015, SOURCE: Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment, PAGES: 400-470
276
TITLE: Mechanistic Study of Carbon Monoxide Methanation over Pure and Rhodium- or Ruthenium-Doped Nickel Catalysts
AUTHORS: Jose L C Fajin ; Jose R B Gomes; Natalia N D S Cordeiro ;
PUBLISHED: 2015, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 119, ISSUE: 29, PAGES: 16537-16551
AUTHORS: Jose L C Fajin ; Jose R B Gomes; Natalia N D S Cordeiro ;
PUBLISHED: 2015, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 119, ISSUE: 29, PAGES: 16537-16551
277
TITLE: Mitoprotective activity of oxidized carbon nanotubes against mitochondrial swelling induced in multiple experimental conditions and predictions with new expected-value perturbation theory
AUTHORS: González Durruthy, M ; Monserrat, JM; Alberici, LC; Naal, Z; Curti, C; González Díaz, H;
PUBLISHED: 2015, SOURCE: RSC Advances, VOLUME: 5, ISSUE: 125, PAGES: 103229-103245
AUTHORS: González Durruthy, M ; Monserrat, JM; Alberici, LC; Naal, Z; Curti, C; González Díaz, H;
PUBLISHED: 2015, SOURCE: RSC Advances, VOLUME: 5, ISSUE: 125, PAGES: 103229-103245
278
TITLE: Molecular Dynamics Simulations of Poly(ethylene oxide) Grafted onto Silica Immersed in Melt of Homopolymers Full Text
AUTHORS: Zuzana Benkova; Natalia N D S Cordeiro ;
PUBLISHED: 2015, SOURCE: LANGMUIR, VOLUME: 31, ISSUE: 37, PAGES: 10254-10264
AUTHORS: Zuzana Benkova; Natalia N D S Cordeiro ;
PUBLISHED: 2015, SOURCE: LANGMUIR, VOLUME: 31, ISSUE: 37, PAGES: 10254-10264
279
TITLE: Molecular Dynamics Study of the Gold/Ionic Liquids Interface
AUTHORS: Elisabete S C Ferreira ; Carlos M Pereira ; Natalia N D S Cordeiro ; Daniel J V A dos Santos;
PUBLISHED: 2015, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 119, ISSUE: 30, PAGES: 9883-9892
AUTHORS: Elisabete S C Ferreira ; Carlos M Pereira ; Natalia N D S Cordeiro ; Daniel J V A dos Santos;
PUBLISHED: 2015, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 119, ISSUE: 30, PAGES: 9883-9892
280
TITLE: Molecularly Imprinted Sol-Gel Materials for Medical Applications
AUTHORS: Riccardo Concu ; Mariana Ornelas; Manuel Azenha ;
PUBLISHED: 2015, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 15, ISSUE: 3, PAGES: 199-222
AUTHORS: Riccardo Concu ; Mariana Ornelas; Manuel Azenha ;
PUBLISHED: 2015, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 15, ISSUE: 3, PAGES: 199-222
