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

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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

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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
21
TITLE: MOZART, a QSAR Multi-Target Web-Based Tool to Predict Multiple Drug-Enzyme Interactions  Full Text
AUTHORS: Concu, Riccardo ; Cordeiro, Maria Natalia Dias Soeiro ; Perez Perez, Martin; Fdez Riverola, Florentino;
PUBLISHED: 2023, SOURCE: MOLECULES, VOLUME: 28, ISSUE: 3, PAGES: 1182
INDEXED IN: Scopus WOS CrossRef
22
TITLE: Multi-model in silico characterization of 3-benzamidobenzoic acid derivatives as partial agonists of Farnesoid X receptor in the management of NAFLD
AUTHORS: Mitra, Soumya; Halder, Amit Kumar ; Ghosh, Nilanjan; Mandal, Subhash C.; Cordeiro, M. Natalia D. S. ;
PUBLISHED: 2023, SOURCE: COMPUTERS IN BIOLOGY AND MEDICINE, VOLUME: 157, PAGES: 106789
INDEXED IN: Scopus WOS CrossRef
23
TITLE: Multilevel Plasticity and Altered Glycosylation Drive Aggressiveness in Hypoxic and Glucose-Deprived Bladder Cancer Cells
AUTHORS: Andreia Peixoto; Dylan Ferreira; Andreia Miranda; Marta Relvas-Santos; Rui Freitas; Tim S Veth; Andreia Brandão; Eduardo Ferreira; Paula Paulo; Marta Cardoso; Cristiana Gaiteiro; Sofia Cotton; Janine Soares; Luís Lima; Filipe Teixeira; Rita Ferreira; Carlos Palmeira; Albert J R Heck; Maria José Oliveira; Silva, AMN ; Lúcio Lara Santos; José Alexandre Ferreira; ...More
PUBLISHED: 2023
INDEXED IN: CrossRef: 1
24
TITLE: Optimizing drug discovery using multitasking models for quantitative structure-biological effect relationships: an update of the literature
AUTHORS: Kleandrova, Valeria V.; Cordeiro, M. Natalia D. S. ; Speck Planche, Alejandro;
PUBLISHED: 2023, SOURCE: EXPERT OPINION ON DRUG DISCOVERY, VOLUME: 18, ISSUE: 11, PAGES: 1231-1243
INDEXED IN: Scopus WOS CrossRef: 2
25
TITLE: Predicting the ecotoxicity of endocrine disruptive chemicals: Multitasking in silico approaches towards global models  Full Text
AUTHORS: Halder, Amit Kumar ; Moura, Ana S. ; Cordeiro, M. Natalia D. S. ;
PUBLISHED: 2023, SOURCE: SCIENCE OF THE TOTAL ENVIRONMENT, VOLUME: 889, PAGES: 164337
INDEXED IN: Scopus WOS CrossRef: 2
27
TITLE: Probing the local structures of Choline-Glycine Electrolytes: Insights from ab initio simulations
AUTHORS: Malaspina, Thaciana; V. Voroshylova, Iuliia ; Cordeiro, M. Natalia D. S. ; Fileti, Eudes Eterno;
PUBLISHED: 2023, SOURCE: JOURNAL OF MOLECULAR LIQUIDS, VOLUME: 390, PAGES: 122946
INDEXED IN: Scopus WOS CrossRef: 5
28
TITLE: Recent Advances in Computer Aided Drug Design
AUTHORS: Concu, Riccardo ; Gupta, Umesh; Goyal, Amit K.;
PUBLISHED: 2023, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 23, ISSUE: 1, PAGES: 30-30
INDEXED IN: Scopus WOS
30
TITLE: SMILES-Based Bioactivity Descriptors to Model the Anti-dengue Virus Activity: A Case Study
AUTHORS: Mitra, S; Nandi, S; Halder, AK ; Cordeiro, MNDS ;
PUBLISHED: 2023, SOURCE: Challenges and Advances in Computational Chemistry and Physics, VOLUME: 33, PAGES: 117-136
INDEXED IN: Scopus CrossRef
31
TITLE: Systematic Development of Vanadium Catalysts for Sustainable Epoxidation of Small Alkenes and Allylic Alcohols  Full Text
AUTHORS: José Ferraz-Caetano ; Teixeira, Filipe; Cordeiro, Maria Natalia Dias Soeiro ;
PUBLISHED: 2023, SOURCE: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, VOLUME: 24, ISSUE: 15, PAGES: 12299
INDEXED IN: Scopus WOS CrossRef: 1 Unpaywall
32
TITLE: The Artificial Intelligence Explanatory Trade-Off on the Logic of Discovery in Chemistry
AUTHORS: José Ferraz-Caetano ;
PUBLISHED: 2023, SOURCE: PHILOSOPHIES, VOLUME: 8, ISSUE: 2, PAGES: 17
INDEXED IN: Scopus WOS CrossRef Unpaywall
33
TITLE: A Molecular Mechanics Energy Partitioning Software for Biomolecular Systems  Full Text
AUTHORS: Fernandes, Henrique S.; Cerqueira, Nuno M. F. S. A.; Sérgio F. Sousa ; Melo, Andre ;
PUBLISHED: 2022, SOURCE: MOLECULES, VOLUME: 27, ISSUE: 17, PAGES: 5524
INDEXED IN: Scopus WOS CrossRef: 2
35
TITLE: Ammonium-, phosphonium- and sulfonium-based 2-cyanopyrrolidine ionic liquids for carbon dioxide fixation  Full Text
AUTHORS: Chaban, Vitaly V.; Andreeva, Nadezhda A.; Voroshylova, Iuliia V. ;
PUBLISHED: 2022, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 24, ISSUE: 16, PAGES: 9659-9672
INDEXED IN: Scopus WOS CrossRef: 9
36
TITLE: An integrated protocol to study hydrogen abstraction reactions by atomic hydrogen in flexible molecules: application to butanol isomers  Full Text
AUTHORS: Ferro Costas, D; Cordeiro, MNDS ; Fernandez Ramos, A;
PUBLISHED: 2022, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 24, ISSUE: 5, PAGES: 3043-3058
INDEXED IN: Scopus WOS CrossRef
37
TITLE: An integrated protocol to study hydrogen abstraction reactions by atomic hydrogen in flexible molecules: application to butanol isomers (vol 24, pg 3043, 2022)  Full Text
AUTHORS: Ferro Costas, D; Cordeiro, MNDS ; Fernandez Ramos, A;
PUBLISHED: 2022, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 24, ISSUE: 7, PAGES: 4683-4683
INDEXED IN: WOS
38
TITLE: caso da “salicilagem dos vinhos do Porto”. ecos de visão social, económica e científica das relações Portugal-Brasil (1885-1905)
AUTHORS: José Ferraz-Caetano ;
PUBLISHED: 2022, SOURCE: Revista Brasileira de História da Ciência, VOLUME: 15, ISSUE: 1, PAGES: 108-119
INDEXED IN: CrossRef: 1

Results per Page: 20.
Page 2 of 31. Total results: 607.