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: 623
15 Team MembersFilters -> Year: 2025
181
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
AUTHORS: A.K Halder ;
PUBLISHED: 2018, SOURCE: SAR and QSAR in Environmental Research, VOLUME: 29, ISSUE: 11, PAGES: 911-933
182
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
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
CrossRef183
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
AUTHORS: González-Veloso, I ; Cabaleiro-Lago, EM; Rodríguez-Otero, J;
PUBLISHED: 2018, SOURCE: Physical Chemistry Chemical Physics, VOLUME: 20, ISSUE: 16, PAGES: 11347-11358
184
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
AUTHORS: Moura, AS ; Cordeiro, MNDS;
PUBLISHED: 2018, SOURCE: 4TH INTERNATIONAL CONFERENCE ON HIGHER EDUCATION ADVANCES (HEAD'18), PAGES: 935-942
INDEXED IN: 
WOS CrossRef
WOS CrossRef185
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
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
186
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
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
187
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
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
188
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
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
189
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
AUTHORS: Concu, R ; Cordeiro, MNDS ;
PUBLISHED: 2018, SOURCE: CURRENT TOPICS IN MEDICINAL CHEMISTRY, VOLUME: 18, ISSUE: 3, PAGES: 219-232
190
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
AUTHORS: Vasumathi, V; Cordeiro, MNDS ;
PUBLISHED: 2018, SOURCE: Encyclopedia of Interfacial Chemistry: Surface Science and Electrochemistry, PAGES: 769-776
INDEXED IN: 
Scopus CrossRef
Scopus CrossRef191
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
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
192
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
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
193
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
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
194
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
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
195
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
AUTHORS: Ferro Costas, D; Cordeiro, MNDS ; Truhlar, DG; Fernandez Ramos, A;
PUBLISHED: 2018, SOURCE: COMPUTER PHYSICS COMMUNICATIONS, VOLUME: 232, PAGES: 190-205
196
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
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
197
TITLE: Size and shape effects on complexes of fullerenes with carbon nanorings: C50 and C76 as [10]CPP and [6]CPPA guests Full Text
AUTHORS: Iván González-Veloso ; Jesús Rodríguez-Otero; Enrique M Cabaleiro-Lago;
PUBLISHED: 2018, SOURCE: Structural Chemistry, VOLUME: 30, ISSUE: 3, PAGES: 647-656
AUTHORS: Iván González-Veloso ; Jesús Rodríguez-Otero; Enrique M Cabaleiro-Lago;
PUBLISHED: 2018, SOURCE: Structural Chemistry, VOLUME: 30, ISSUE: 3, PAGES: 647-656
198
TITLE: Structure and kinetics of water in highly confined conditions: A molecular dynamics simulation study Full Text
AUTHORS: Amal Kanta Giri; Filipe Teixeira ; Natalia N D S Cordeiro ;
PUBLISHED: 2018, SOURCE: JOURNAL OF MOLECULAR LIQUIDS, VOLUME: 268, PAGES: 625-636
AUTHORS: Amal Kanta Giri; Filipe Teixeira ; Natalia N D S Cordeiro ;
PUBLISHED: 2018, SOURCE: JOURNAL OF MOLECULAR LIQUIDS, VOLUME: 268, PAGES: 625-636
199
TITLE: Structure-function relationships in ABCG2: insights from molecular dynamics simulations and molecular docking studies (vol 7, 15534, 2017) Full Text
AUTHORS: Ferreira, RJ; Bonito, CA ; Cordeiro, MNDS ; Ferreira, MJU; dos Santos, DJVA;
PUBLISHED: 2018, SOURCE: SCIENTIFIC REPORTS, VOLUME: 8, ISSUE: 1, PAGES: 6355
AUTHORS: Ferreira, RJ; Bonito, CA ; Cordeiro, MNDS ; Ferreira, MJU; dos Santos, DJVA;
PUBLISHED: 2018, SOURCE: SCIENTIFIC REPORTS, VOLUME: 8, ISSUE: 1, PAGES: 6355
200
TITLE: Transport Properties and Ion Aggregation in Mixtures of Room Temperature Ionic Liquids with Aprotic Dipolar Solvents
AUTHORS: Kalugin, ON; Riabchunova, AV; Voroshylova, IV ; Chaban, VV; Marekha, BA; Koverga, VA; Idrissi, A;
PUBLISHED: 2018, SOURCE: 7th Conference of the Physics of Liquid Matter - Modern Problems (PLMMP) in MODERN PROBLEMS OF MOLECULAR PHYSICS, VOLUME: 197, PAGES: 67-109
AUTHORS: Kalugin, ON; Riabchunova, AV; Voroshylova, IV ; Chaban, VV; Marekha, BA; Koverga, VA; Idrissi, A;
PUBLISHED: 2018, SOURCE: 7th Conference of the Physics of Liquid Matter - Modern Problems (PLMMP) in MODERN PROBLEMS OF MOLECULAR PHYSICS, VOLUME: 197, PAGES: 67-109
