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
321
TITLE: Multi-Target QSAR Approaches for Modeling Protein Inhibitors. Simultaneous Prediction of Activities Against Biomacromolecules Present in Gram-Negative Bacteria
AUTHORS: Alejandro Speck Planche; Cordeiro, MNDS ;
PUBLISHED: 2015, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 15, ISSUE: 18, PAGES: 1801-1813
AUTHORS: Alejandro Speck Planche; Cordeiro, MNDS ;
PUBLISHED: 2015, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 15, ISSUE: 18, PAGES: 1801-1813
INDEXED IN: 
Scopus 
WOS
Scopus WOS322
TITLE: Multitasking models for quantitative structure-biological effect relationships: current status and future perspectives to speed up drug discovery
AUTHORS: Alejandro Speck Planche; Maria Natalia D S Dias Soeiro Cordeiro ;
PUBLISHED: 2015, SOURCE: EXPERT OPINION ON DRUG DISCOVERY, VOLUME: 10, ISSUE: 3, PAGES: 245-256
AUTHORS: Alejandro Speck Planche; Maria Natalia D S Dias Soeiro Cordeiro ;
PUBLISHED: 2015, SOURCE: EXPERT OPINION ON DRUG DISCOVERY, VOLUME: 10, ISSUE: 3, PAGES: 245-256
323
TITLE: NCI analysis of the interaction cation⋯π in complexes with molecular bowls derived from fullerene Full Text
AUTHORS: Iván González-Veloso ; Jorge A Carrazana-García; Daniela Josa; Jesús Rodríguez-Otero; Enrique M Cabaleiro-Lago;
PUBLISHED: 2015, SOURCE: Computational and Theoretical Chemistry, VOLUME: 1053, PAGES: 123-129
AUTHORS: Iván González-Veloso ; Jorge A Carrazana-García; Daniela Josa; Jesús Rodríguez-Otero; Enrique M Cabaleiro-Lago;
PUBLISHED: 2015, SOURCE: Computational and Theoretical Chemistry, VOLUME: 1053, PAGES: 123-129
324
TITLE: QSAR-based studies of nanomaterials in the environment
AUTHORS: Kleandrova, VV; Luan, F; Speck Planche, A; Cordeiro, MNDS ;
PUBLISHED: 2015, SOURCE: Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment, PAGES: 506-534
AUTHORS: Kleandrova, VV; Luan, F; Speck Planche, A; Cordeiro, MNDS ;
PUBLISHED: 2015, SOURCE: Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment, PAGES: 506-534
325
TITLE: Quinoxaline, its derivatives and applications: A State of the Art review Full Text
AUTHORS: Joana A Pereira; Ana M Pessoa ; Natalia N D S Cordeiro ; Ruben Fernandes; Cristina Prudencio ; Joao Paulo Noronha; Monica Vieira ;
PUBLISHED: 2015, SOURCE: EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, VOLUME: 97, PAGES: 664-672
AUTHORS: Joana A Pereira; Ana M Pessoa ; Natalia N D S Cordeiro ; Ruben Fernandes; Cristina Prudencio ; Joao Paulo Noronha; Monica Vieira ;
PUBLISHED: 2015, SOURCE: EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, VOLUME: 97, PAGES: 664-672
326
TITLE: Recent advances in multi-task QSAR modeling for drug design
AUTHORS: Halder, AK ; Goodarzi, M;
PUBLISHED: 2015, SOURCE: Pharmaceutical Sciences, VOLUME: 21, ISSUE: 4, PAGES: 175-177
AUTHORS: Halder, AK ; Goodarzi, M;
PUBLISHED: 2015, SOURCE: Pharmaceutical Sciences, VOLUME: 21, ISSUE: 4, PAGES: 175-177
INDEXED IN: Scopus 
CrossRef
Scopus CrossRef327
TITLE: Review of Structures Containing Fullerene-C-60 for Delivery of Antibacterial Agents. Multitasking Model for Computational Assessment of Safety Profiles
AUTHORS: Valeria V Kleandrova; Feng Luan; Alejandro Speck Planche; Cordeiro, MNDS ;
PUBLISHED: 2015, SOURCE: CURRENT BIOINFORMATICS, VOLUME: 10, ISSUE: 5, PAGES: 565-578
AUTHORS: Valeria V Kleandrova; Feng Luan; Alejandro Speck Planche; Cordeiro, MNDS ;
PUBLISHED: 2015, SOURCE: CURRENT BIOINFORMATICS, VOLUME: 10, ISSUE: 5, PAGES: 565-578
328
TITLE: Simple descriptors for assessing the outcome of aza-Diels-Alder reactions
AUTHORS: Filipe Teixeira ; Natalia, M ; Cordeiro, DS;
PUBLISHED: 2015, SOURCE: RSC ADVANCES, VOLUME: 5, ISSUE: 63, PAGES: 50729-50740
AUTHORS: Filipe Teixeira ; Natalia, M ; Cordeiro, DS;
PUBLISHED: 2015, SOURCE: RSC ADVANCES, VOLUME: 5, ISSUE: 63, PAGES: 50729-50740
329
TITLE: Sol-Gel Chemistry Applied to Medicinal Science
AUTHORS: Concu, R ; Perez, M; Azenha, M ;
PUBLISHED: 2015, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 15, ISSUE: 3, PAGES: 198-198
AUTHORS: Concu, R ; Perez, M; Azenha, M ;
PUBLISHED: 2015, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 15, ISSUE: 3, PAGES: 198-198
330
TITLE: Solvent Accessible Surface Area-Based Hot-Spot Detection Methods for Protein-Protein and Protein-Nucleic Acid Interfaces Full Text
AUTHORS: Cristian R Munteanu; Antonio C Pimenta; Carlos Fernandez Lozano; Andre Melo ; Maria N D S Cordeiro ; Irina S Moreira ;
PUBLISHED: 2015, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 55, ISSUE: 5, PAGES: 1077-1086
AUTHORS: Cristian R Munteanu; Antonio C Pimenta; Carlos Fernandez Lozano; Andre Melo ; Maria N D S Cordeiro ; Irina S Moreira ;
PUBLISHED: 2015, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 55, ISSUE: 5, PAGES: 1077-1086
331
TITLE: Stepwise development of structure-activity relationship of diverse PARP-1 inhibitors through comparative and validated in silico modeling techniques and molecular dynamics simulation
AUTHORS: Halder, AK ; Saha, A; Saha, KD; Jha, T;
PUBLISHED: 2015, SOURCE: Journal of Biomolecular Structure and Dynamics, VOLUME: 33, ISSUE: 8, PAGES: 1756-1779
AUTHORS: Halder, AK ; Saha, A; Saha, KD; Jha, T;
PUBLISHED: 2015, SOURCE: Journal of Biomolecular Structure and Dynamics, VOLUME: 33, ISSUE: 8, PAGES: 1756-1779
332
TITLE: Structural findings of phenylindoles as cytotoxic antimitotic agents in human breast cancer cell lines through multiple validated QSAR studies Full Text
AUTHORS: Adhikari, N; Halder, AK ; Saha, A; Das Saha, K; Jha, T;
PUBLISHED: 2015, SOURCE: Toxicology in Vitro, VOLUME: 29, ISSUE: 7, PAGES: 1392-1404
AUTHORS: Adhikari, N; Halder, AK ; Saha, A; Das Saha, K; Jha, T;
PUBLISHED: 2015, SOURCE: Toxicology in Vitro, VOLUME: 29, ISSUE: 7, PAGES: 1392-1404
333
TITLE: Structure of Mixed Self-Assembled Monolayers on Gold Nanoparticles at Three Different Arrangements
AUTHORS: Vasumathi Velachi; Debdip Bhandary; Jayant K Singh; Natalia N D S Cordeiro ;
PUBLISHED: 2015, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 119, ISSUE: 6, PAGES: 3199-3209
AUTHORS: Vasumathi Velachi; Debdip Bhandary; Jayant K Singh; Natalia N D S Cordeiro ;
PUBLISHED: 2015, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 119, ISSUE: 6, PAGES: 3199-3209
334
TITLE: Systematic Refinement of Canongia Lopes-Padua Force Field for Pyrrolidinium-Based Ionic Liquids
AUTHORS: Vitaly V Chaban; Iuliia V Voroshylova ;
PUBLISHED: 2015, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 119, ISSUE: 20, PAGES: 6242-6249
AUTHORS: Vitaly V Chaban; Iuliia V Voroshylova ;
PUBLISHED: 2015, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 119, ISSUE: 20, PAGES: 6242-6249
335
TITLE: Tailoring buckybowls for fullerene recognition. A dispersion-corrected DFT study Full Text
AUTHORS: Daniela Josa; Iván González-Veloso ; Jesús Rodríguez-Otero; Enrique M Cabaleiro-Lago;
PUBLISHED: 2015, SOURCE: Physical Chemistry Chemical Physics, VOLUME: 17, ISSUE: 9, PAGES: 6233-6241
AUTHORS: Daniela Josa; Iván González-Veloso ; Jesús Rodríguez-Otero; Enrique M Cabaleiro-Lago;
PUBLISHED: 2015, SOURCE: Physical Chemistry Chemical Physics, VOLUME: 17, ISSUE: 9, PAGES: 6233-6241
336
TITLE: Towards the development of anticancer drugs from andrographolide: Semisynthesis, bioevaluation, QSAR analysis and pharmacokinetic studies
AUTHORS: Hazra, A; Mondal, C; Chakraborty, D; Halder, AK ; Bharitkar, YP; Mondal, SK; Banerjee, S; Jha, T; Mondal, NB;
PUBLISHED: 2015, SOURCE: Current Topics in Medicinal Chemistry, VOLUME: 15, ISSUE: 11, PAGES: 1013-1026
AUTHORS: Hazra, A; Mondal, C; Chakraborty, D; Halder, AK ; Bharitkar, YP; Mondal, SK; Banerjee, S; Jha, T; Mondal, NB;
PUBLISHED: 2015, SOURCE: Current Topics in Medicinal Chemistry, VOLUME: 15, ISSUE: 11, PAGES: 1013-1026
INDEXED IN: Scopus
Scopus337
TITLE: Virtual Screening of Alkaloids from Apocynaceae with Potential Antitrypanosomal Activity
AUTHORS: Marcus T Scotti; Alejandro Speck Planche; Josean Fechine Tavares; Marcelo Sobral da Silva; Natalia N D S Cordeiro ; Luciana Scotti;
PUBLISHED: 2015, SOURCE: CURRENT BIOINFORMATICS, VOLUME: 10, ISSUE: 5, PAGES: 509-519
AUTHORS: Marcus T Scotti; Alejandro Speck Planche; Josean Fechine Tavares; Marcelo Sobral da Silva; Natalia N D S Cordeiro ; Luciana Scotti;
PUBLISHED: 2015, SOURCE: CURRENT BIOINFORMATICS, VOLUME: 10, ISSUE: 5, PAGES: 509-519
338
TITLE: A general ANN-based multitasking model for the discovery of potent and safer antibacterial agents
AUTHORS: Speck Planche, A; Cordeiro, MNDS ;
PUBLISHED: 2014, SOURCE: Artificial Neural Networks: Second Edition, PAGES: 45-64
AUTHORS: Speck Planche, A; Cordeiro, MNDS ;
PUBLISHED: 2014, SOURCE: Artificial Neural Networks: Second Edition, PAGES: 45-64
339
TITLE: Activity cliffs in drug discovery: Dr Jekyll or Mr Hyde? Full Text
AUTHORS: Maykel Cruz Monteagudo; Jose L Medina Francos; Yunierkis Perez Castillo; Orazio Nicolotti; Natalia N D S Cordeiro ; Fernanda Borges ;
PUBLISHED: 2014, SOURCE: DRUG DISCOVERY TODAY, VOLUME: 19, ISSUE: 8, PAGES: 1069-1080
AUTHORS: Maykel Cruz Monteagudo; Jose L Medina Francos; Yunierkis Perez Castillo; Orazio Nicolotti; Natalia N D S Cordeiro ; Fernanda Borges ;
PUBLISHED: 2014, SOURCE: DRUG DISCOVERY TODAY, VOLUME: 19, ISSUE: 8, PAGES: 1069-1080
340
TITLE: Atomistic Force Field for Pyridinium-Based Ionic Liquids: Reliable Transport Properties
AUTHORS: Voroshylova, IV ; Chaban, VV;
PUBLISHED: 2014, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 118, ISSUE: 36, PAGES: 10716-10724
AUTHORS: Voroshylova, IV ; Chaban, VV;
PUBLISHED: 2014, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 118, ISSUE: 36, PAGES: 10716-10724
