Quimat - Cheminformatics and Materials (Quimat)

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

Update Citation

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!

Update PrePrints

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!

Publications Count: 607

15 Team Members
Filters -> 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
INDEXED IN: Scopus WOS CrossRef: 135
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
INDEXED IN: Scopus WOS CrossRef: 50
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
INDEXED IN: Scopus WOS CrossRef: 12
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
INDEXED IN: Scopus WOS CrossRef: 12
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
INDEXED IN: Scopus WOS CrossRef: 35
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
INDEXED IN: Scopus WOS
308
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
INDEXED IN: Scopus WOS CrossRef: 104
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
INDEXED IN: Scopus WOS CrossRef: 51
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
INDEXED IN: Scopus WOS CrossRef: 4
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
INDEXED IN: CrossRef: 1
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
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
INDEXED IN: Scopus WOS CrossRef: 10
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
INDEXED IN: Scopus WOS CrossRef: 1
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
INDEXED IN: Scopus CrossRef: 1

Results per Page: 20.
Page 16 of 31. Total results: 607.