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. 
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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
162
TITLE: Estimation of the Toxicity of Different Substituted Aromatic Compounds to the Aquatic Ciliate Tetrahymena pyriformis by QSAR Approach  Full Text
AUTHORS: Luan, F; Wang, T; Tang, LL; Zhang, S; Cordeiro, MNDS ;
PUBLISHED: 2018, SOURCE: MOLECULES, VOLUME: 23, ISSUE: 5, PAGES: 1002
INDEXED IN: Scopus WOS CrossRef: 5
163
TITLE: Exploring rare chemical phenomena using fractional nuclear charges: The cis-effect in N2F2  Full Text
AUTHORS: Teixeira, F ; Melo, A ; Cordeiro, MNDS ;
PUBLISHED: 2018, SOURCE: INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 118, ISSUE: 17
INDEXED IN: Scopus WOS CrossRef: 2
164
TITLE: Exploring the flap dynamics of the South African HIV subtype C protease in presence of FDA-approved inhibitors: MD study  Full Text
AUTHORS: Siyabonga I Maphumulo; Amit K Halder ; Thavendran Govender; Sibusiso Maseko; Glenn E M Maguire; Bahareh Honarparvar; Hendrik G Kruger;
PUBLISHED: 2018, SOURCE: Chemical Biology & Drug Design, VOLUME: 92, ISSUE: 5, PAGES: 1899-1913
INDEXED IN: CrossRef: 3
165
TITLE: Finding the structural requirements of diverse HIV-1 protease inhibitors using multiple QSAR modelling for lead identification  Full Text
AUTHORS: A.K Halder ;
PUBLISHED: 2018, SOURCE: SAR and QSAR in Environmental Research, VOLUME: 29, ISSUE: 11, PAGES: 911-933
INDEXED IN: CrossRef: 24
166
TITLE: From All Atom to Coarse Grain: Molecular Dynamic Simulation of Imprinting Process on a Silica Xerogel
AUTHORS: Riccardo Concu ; Maria Natalia Dias Soeiro Cordeiro ;
PUBLISHED: 2018, SOURCE: Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition
INDEXED IN: CrossRef
167
TITLE: Fullerene size controls the selective complexation of [11]CPP with pristine and endohedral fullerenes  Full Text
AUTHORS: González-Veloso, I ; Cabaleiro-Lago, EM; Rodríguez-Otero, J;
PUBLISHED: 2018, SOURCE: Physical Chemistry Chemical Physics, VOLUME: 20, ISSUE: 16, PAGES: 11347-11358
INDEXED IN: CrossRef: 19
168
TITLE: Grading <i>versus</i> Reliability: how Academia perspectives evaluation on MOOCs
AUTHORS: Moura, AS ; Cordeiro, MNDS;
PUBLISHED: 2018, SOURCE: 4TH INTERNATIONAL CONFERENCE ON HIGHER EDUCATION ADVANCES (HEAD'18), PAGES: 935-942
INDEXED IN: WOS CrossRef
169
TITLE: Head and Neck Cancer: Recent Findings and New Targets
AUTHORS: Ardito, F; Dias Soeiro D S Cordeiro ; Muzio, L; Concu, R ;
PUBLISHED: 2018, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 18, ISSUE: 3, PAGES: 173-173
INDEXED IN: Scopus WOS CrossRef
170
TITLE: In Silico Studies Targeting G-protein Coupled Receptors for Drug Research Against Parkinsons Disease
AUTHORS: Agostinho Lemos; Rita Melo; Antonio Jose Preto; Jose Guilherme Almeida; Irina Sousa Moreira; Maria Natalia D S Dias Soeiro Cordeiro ;
PUBLISHED: 2018, SOURCE: CURRENT NEUROPHARMACOLOGY, VOLUME: 16, ISSUE: 6, PAGES: 786-848
INDEXED IN: Scopus WOS CrossRef: 16
171
TITLE: Influence of the anion on the properties of ionic liquid mixtures: a molecular dynamics study  Full Text
AUTHORS: Voroshylova, IV ; Ferreira, ESC ; Malcek, M; Costa, R ; Pereira, CM ; Cordeiro, NDS ;
PUBLISHED: 2018, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 20, ISSUE: 21, PAGES: 14899-14918
INDEXED IN: Scopus WOS CrossRef: 38
172
TITLE: Inhibition of Mycobacterium tuberculosis L,D-Transpeptidase 5 by Carbapenems: MD and QM/MM Mechanistic Studies
AUTHORS: Gideon F Tolufashe; Amit K Halder ; Collins U Ibeji; Monsurat M Lawal; Thandokuhle Ntombela; Thavendran Govender; Glenn E M Maguire; Gyanu Lamichhane; Hendrik G Kruger; Bahareh Honarparvar;
PUBLISHED: 2018, SOURCE: ChemistrySelect, VOLUME: 3, ISSUE: 48, PAGES: 13603-13612
INDEXED IN: CrossRef: 6
173
TITLE: Looking for New Inhibitors for the Epidermal Growth Factor Receptor
AUTHORS: Concu, R ; Cordeiro, MNDS ;
PUBLISHED: 2018, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 18, ISSUE: 3, PAGES: 219-232
INDEXED IN: Scopus WOS CrossRef: 9
174
TITLE: Mixed self-assembled monolayers on gold nanoparticles: Synthesis, properties, and applications
AUTHORS: Vasumathi, V; Cordeiro, MNDS ;
PUBLISHED: 2018, SOURCE: Encyclopedia of Interfacial Chemistry: Surface Science and Electrochemistry, PAGES: 769-776
INDEXED IN: Scopus CrossRef
175
TITLE: Mr. Silva and Patient Zero: A Medical Social Network and Data Visualization Information System
AUTHORS: Patricia C T Goncalves ; Ana S Moura ; Natalia N D S Cordeiro ; Pedro Campos ;
PUBLISHED: 2018, SOURCE: Int Workshop on Point-of-Care Ultrasound / Int Workshop on Bio-Imaging and Visualizat for Patient-Customized Simulat / Int Workshop on Correct of Brainshift with Intra-Operat Ultrasound / Int Workshop on Computat Precis Med in SIMULATION, IMAGE PROCESSING, AND ULTRASOUND SYSTEMS FOR ASSISTED DIAGNOSIS AND NAVIGATION, VOLUME: 11042, PAGES: 111-117
INDEXED IN: Scopus WOS CrossRef: 2
176
TITLE: NaRIBaS-A Scripting Framework for Computational Modeling of Nanomaterials and Room Temperature Ionic Liquids in Bulk and Slab
AUTHORS: Nerut, ER; Karu, K; Voroshylova, IV ; Kirchner, K; Kirchner, T; Fedorov, MV; Ivanistsev, VB;
PUBLISHED: 2018, SOURCE: COMPUTATION, VOLUME: 6, ISSUE: 4, PAGES: 57
INDEXED IN: Scopus WOS CrossRef: 6
177
TITLE: On the thickness of the double layer in ionic liquids  Full Text
AUTHORS: Ruzanov, A; Lembinen, M; Jakovits, P; Srirama, SN; Voroshylova, IV ; Cordeiro, MNDS ; Pereira, CM ; Rossmeisl, J; Ivanistsev, VB;
PUBLISHED: 2018, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 20, ISSUE: 15, PAGES: 10275-10285
INDEXED IN: Scopus WOS CrossRef: 38
178
TITLE: Prediction of the Toxicity of Binary Mixtures by QSAR Approach Using the Hypothetical Descriptors  Full Text
AUTHORS: Ting Wang; Lili L Tang; Feng Luan; Natalia N D S Cordeiro ;
PUBLISHED: 2018, SOURCE: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, VOLUME: 19, ISSUE: 11, PAGES: 3423
INDEXED IN: Scopus WOS CrossRef: 27
179
TITLE: Q2DTor: A program to treat torsional anharmonicity through coupled pair torsions in flexible molecules  Full Text
AUTHORS: Ferro Costas, D; Cordeiro, MNDS ; Truhlar, DG; Fernandez Ramos, A;
PUBLISHED: 2018, SOURCE: COMPUTER PHYSICS COMMUNICATIONS, VOLUME: 232, PAGES: 190-205
INDEXED IN: Scopus WOS CrossRef: 21
180
TITLE: QSAR modelling: a therapeutic patent review 2010-present
AUTHORS: Amit Kumar Halder ; Ana S Moura ; Natalia N D S Cordeiro ;
PUBLISHED: 2018, SOURCE: EXPERT OPINION ON THERAPEUTIC PATENTS, VOLUME: 28, ISSUE: 6, PAGES: 467-476
INDEXED IN: Scopus WOS CrossRef: 26

Results per Page: 20.
Page 9 of 31. Total results: 607.