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
301
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
302
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
303
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
304
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
305
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
306
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
307
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
308
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
309
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
310
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
311
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
312
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
313
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
314
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
315
TITLE: Editorial (Thematic Issue: Chemoinformatics in Metabolomics, From Molecular Mechanics, Dynamics, and Docking to Complex Metabolic Networks, Part 2)
AUTHORS: Humberto Gonzalez-Diaz; Alejandro Speck-Planche; Maria Cordeiro ;
PUBLISHED: 2014, SOURCE: Current Drug Metabolism, VOLUME: 15, ISSUE: 5, PAGES: 489-489
AUTHORS: Humberto Gonzalez-Diaz; Alejandro Speck-Planche; Maria Cordeiro ;
PUBLISHED: 2014, SOURCE: Current Drug Metabolism, VOLUME: 15, ISSUE: 5, PAGES: 489-489
316
TITLE: Editorial (Thematic Issue: Chemoinformatics in Metabolomics, Modeling Chemical Reactivity and ADMET Processes Part 1)
AUTHORS: Humberto González-Díaz; Alejandro Speck-Planche; Maria Dias Soeiro Cordeiro ;
PUBLISHED: 2014, SOURCE: Current Drug Metabolism, VOLUME: 15, ISSUE: 4, PAGES: 345-345
AUTHORS: Humberto González-Díaz; Alejandro Speck-Planche; Maria Dias Soeiro Cordeiro ;
PUBLISHED: 2014, SOURCE: Current Drug Metabolism, VOLUME: 15, ISSUE: 4, PAGES: 345-345
INDEXED IN: CrossRef
317
TITLE: Effects of Axial Coordination on Immobilized Mn(salen) Catalysts
AUTHORS: Filipe Teixeira ; Ricardo A Mosquera; Andre Melo ; cristina freire ; Natalia N D S Cordeiro ;
PUBLISHED: 2014, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 118, ISSUE: 45, PAGES: 10788-10796
AUTHORS: Filipe Teixeira ; Ricardo A Mosquera; Andre Melo ; cristina freire ; Natalia N D S Cordeiro ;
PUBLISHED: 2014, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 118, ISSUE: 45, PAGES: 10788-10796
318
TITLE: Generalized Bronsted-Evans-Polanyi relationships and descriptors for O-H bond cleavage of organic molecules on transition metal surfaces Full Text
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Francesc Illas; Jose R B Gomes;
PUBLISHED: 2014, SOURCE: JOURNAL OF CATALYSIS, VOLUME: 313, PAGES: 24-33
AUTHORS: Jose L C Fajin ; Natalia N D S Cordeiro ; Francesc Illas; Jose R B Gomes;
PUBLISHED: 2014, SOURCE: JOURNAL OF CATALYSIS, VOLUME: 313, PAGES: 24-33
319
TITLE: How reliable is the ReaxFF Potential for Describing the Structure of Alkanethiols on Gold? A Molecular Dynamics Study Full Text
AUTHORS: Vasumathi, V; Maria Natalia D S Cordeiro ;
PUBLISHED: 2014, SOURCE: 2nd International Conference on Mathematical Modeling in Physical Sciences (IC-MSQUARE) in 2ND INTERNATIONAL CONFERENCE ON MATHEMATICAL MODELING IN PHYSICAL SCIENCES 2013 (IC-MSQUARE 2013), VOLUME: 490, ISSUE: 1, PAGES: 012006
AUTHORS: Vasumathi, V; Maria Natalia D S Cordeiro ;
PUBLISHED: 2014, SOURCE: 2nd International Conference on Mathematical Modeling in Physical Sciences (IC-MSQUARE) in 2ND INTERNATIONAL CONFERENCE ON MATHEMATICAL MODELING IN PHYSICAL SCIENCES 2013 (IC-MSQUARE 2013), VOLUME: 490, ISSUE: 1, PAGES: 012006
320
TITLE: How reliable is the ReaxFF potential for describing the structure of alkanethiols on gold? A molecular dynamics study
AUTHORS: Velachi Vasumathi; José Luis Cagide Fajin ; Maria Natália Dias Soeiro Cordeiro ;
PUBLISHED: 2014, SOURCE: International Journal of Modeling, Simulation, and Scientific Computing, VOLUME: 5, ISSUE: supp01, PAGES: 1441011
AUTHORS: Velachi Vasumathi; José Luis Cagide Fajin ; Maria Natália Dias Soeiro Cordeiro ;
PUBLISHED: 2014, SOURCE: International Journal of Modeling, Simulation, and Scientific Computing, VOLUME: 5, ISSUE: supp01, PAGES: 1441011