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
341
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
342
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
343
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
344
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
Scopus345
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
346
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
347
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
348
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
349
TITLE: Calculation of the intrinsic solvation free energy profile of methane across a liquid/liquid interface in computer simulations Full Text
AUTHORS: Maria Darvas; Miguel Jorge; Natalia N D S Cordeiro ; Pal Jedlovszky;
PUBLISHED: 2014, SOURCE: JOURNAL OF MOLECULAR LIQUIDS, VOLUME: 189, PAGES: 39-43
AUTHORS: Maria Darvas; Miguel Jorge; Natalia N D S Cordeiro ; Pal Jedlovszky;
PUBLISHED: 2014, SOURCE: JOURNAL OF MOLECULAR LIQUIDS, VOLUME: 189, PAGES: 39-43
350
TITLE: Charge Distribution in Mn( salen) Complexes Full Text
AUTHORS: Filipe Teixeira ; Ricardo Mosquera; Andre Melo ; cristina freire ; Maria Natalia D S Cordeiro ;
PUBLISHED: 2014, SOURCE: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 114, ISSUE: 8, PAGES: 525-533
AUTHORS: Filipe Teixeira ; Ricardo Mosquera; Andre Melo ; cristina freire ; Maria Natalia D S Cordeiro ;
PUBLISHED: 2014, SOURCE: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 114, ISSUE: 8, PAGES: 525-533
351
TITLE: Chemoinformatics for medicinal chemistry: in silico model to enable the discovery of potent and safer anti-cocci agents
AUTHORS: Alejandro Speck Planche; Maria Natalia D S Dias Soeiro Cordeiro ;
PUBLISHED: 2014, SOURCE: FUTURE MEDICINAL CHEMISTRY, VOLUME: 6, ISSUE: 18, PAGES: 2013-2028
AUTHORS: Alejandro Speck Planche; Maria Natalia D S Dias Soeiro Cordeiro ;
PUBLISHED: 2014, SOURCE: FUTURE MEDICINAL CHEMISTRY, VOLUME: 6, ISSUE: 18, PAGES: 2013-2028
352
TITLE: Chemoinformatics in Metabolomics, From Molecular Mechanics, Dynamics, and Docking to Complex Metabolic Networks, Part 2
AUTHORS: Humberto Gonzalez Diaz; Alejandro Speck Planche; Maria Natalia Dias S Soeiro Cordeiro ;
PUBLISHED: 2014, SOURCE: CURRENT DRUG METABOLISM, VOLUME: 15, ISSUE: 5, PAGES: 489-489
AUTHORS: Humberto Gonzalez Diaz; Alejandro Speck Planche; Maria Natalia Dias S Soeiro Cordeiro ;
PUBLISHED: 2014, SOURCE: CURRENT DRUG METABOLISM, VOLUME: 15, ISSUE: 5, PAGES: 489-489
INDEXED IN: Scopus 
WOS
Scopus WOS353
TITLE: Chemoinformatics in Metabolomics, Modeling Chemical Reactivity and ADMET Processes Part 1
AUTHORS: Humberto Gonzalez Diaz; Alejandro Speck Planche; Maria Natalia D S Dias Soeiro Cordeiro ;
PUBLISHED: 2014, SOURCE: CURRENT DRUG METABOLISM, VOLUME: 15, ISSUE: 4, PAGES: 345-345
AUTHORS: Humberto Gonzalez Diaz; Alejandro Speck Planche; Maria Natalia D S Dias Soeiro Cordeiro ;
PUBLISHED: 2014, SOURCE: CURRENT DRUG METABOLISM, VOLUME: 15, ISSUE: 4, PAGES: 345-345
INDEXED IN: Scopus WOS
Scopus WOS354
TITLE: Chemoinformatics Profiling of Ionic LiquidsuUncovering Structure-Cytotoxicity Relationships With Network-like Similarity Graphs
AUTHORS: Maykel Cruz Monteagudo; Maria Natalia D S Dias Soeiro Cordeiro ;
PUBLISHED: 2014, SOURCE: TOXICOLOGICAL SCIENCES, VOLUME: 138, ISSUE: 1, PAGES: 191-204
AUTHORS: Maykel Cruz Monteagudo; Maria Natalia D S Dias Soeiro Cordeiro ;
PUBLISHED: 2014, SOURCE: TOXICOLOGICAL SCIENCES, VOLUME: 138, ISSUE: 1, PAGES: 191-204
355
TITLE: Computational ecotoxicology: Simultaneous prediction of ecotoxic effects of nanoparticles under different experimental conditions Full Text
AUTHORS: Valeria V Kleandrova; Feng Luan; Humberto Gonzalez Diaz; Juan M Ruso; Andre Melo ; Alejandro Speck Planche; Natalia N D S Cordeiro ;
PUBLISHED: 2014, SOURCE: ENVIRONMENT INTERNATIONAL, VOLUME: 73, PAGES: 288-294
AUTHORS: Valeria V Kleandrova; Feng Luan; Humberto Gonzalez Diaz; Juan M Ruso; Andre Melo ; Alejandro Speck Planche; Natalia N D S Cordeiro ;
PUBLISHED: 2014, SOURCE: ENVIRONMENT INTERNATIONAL, VOLUME: 73, PAGES: 288-294
356
TITLE: Computational Tool for Risk Assessment of Nanomaterials: Novel QSTR-Perturbation Model for Simultaneous Prediction of Ecotoxicity and Cytotoxicity of Uncoated and Coated Nanoparticles under Multiple Experimental Conditions Full Text
AUTHORS: Valeria V Kleandrova; Feng Luan; Humberto Gonzalez Diaz; Juan M Ruso; Alejandro Speck Planche; Natalia N D S Cordeiro ;
PUBLISHED: 2014, SOURCE: ENVIRONMENTAL SCIENCE & TECHNOLOGY, VOLUME: 48, ISSUE: 24, PAGES: 14686-14694
AUTHORS: Valeria V Kleandrova; Feng Luan; Humberto Gonzalez Diaz; Juan M Ruso; Alejandro Speck Planche; Natalia N D S Cordeiro ;
PUBLISHED: 2014, SOURCE: ENVIRONMENTAL SCIENCE & TECHNOLOGY, VOLUME: 48, ISSUE: 24, PAGES: 14686-14694
357
TITLE: Computer-aided nanotoxicology: assessing cytotoxicity of nanoparticles under diverse experimental conditions by using a novel QSTR-perturbation approach Full Text
AUTHORS: Feng Luan; Valeria V Kleandrova; Humberto Gonzalez Diaz; Juan M Ruso; Andre Melo ; Alejandro Speck Planche; Natalia N D S Cordeiro ;
PUBLISHED: 2014, SOURCE: NANOSCALE, VOLUME: 6, ISSUE: 18, PAGES: 10623-10630
AUTHORS: Feng Luan; Valeria V Kleandrova; Humberto Gonzalez Diaz; Juan M Ruso; Andre Melo ; Alejandro Speck Planche; Natalia N D S Cordeiro ;
PUBLISHED: 2014, SOURCE: NANOSCALE, VOLUME: 6, ISSUE: 18, PAGES: 10623-10630
358
TITLE: Density Functional Theory Study of the Water Dissociation on Platinum Surfaces: General Trends
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes;
PUBLISHED: 2014, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 118, ISSUE: 31, PAGES: 5832-5840
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Jose R B Gomes;
PUBLISHED: 2014, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 118, ISSUE: 31, PAGES: 5832-5840
359
TITLE: Dermic diffusion and stratum corneum: A state of the art review of mathematical models Full Text
AUTHORS: Ana Couto; Ruben Fernandes; Natalia N S Cordeiro ; Sara S Reis; Rogerio T Ribeiro; Ana M Pessoa ;
PUBLISHED: 2014, SOURCE: JOURNAL OF CONTROLLED RELEASE, VOLUME: 177, ISSUE: 1, PAGES: 74-83
AUTHORS: Ana Couto; Ruben Fernandes; Natalia N S Cordeiro ; Sara S Reis; Rogerio T Ribeiro; Ana M Pessoa ;
PUBLISHED: 2014, SOURCE: JOURNAL OF CONTROLLED RELEASE, VOLUME: 177, ISSUE: 1, PAGES: 74-83
360
TITLE: Dynamic Structure of NGF and proNGF Complexed with p75NTR: Pro-Peptide Effect Full Text
AUTHORS: Pimenta, AC; Dourado, DFAR; Martins, JM; Melo, A ; Dias Soeiro Cordeiro, MNDS ; Almeida, RD; Morra, G; Moreira, IS ;
PUBLISHED: 2014, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 54, ISSUE: 7, PAGES: 2051-2067
AUTHORS: Pimenta, AC; Dourado, DFAR; Martins, JM; Melo, A ; Dias Soeiro Cordeiro, MNDS ; Almeida, RD; Morra, G; Moreira, IS ;
PUBLISHED: 2014, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 54, ISSUE: 7, PAGES: 2051-2067
