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
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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!
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: 654
15 Team MembersFilters -> Year: 2026
221
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
222
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
223
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
224
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
225
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
226
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
227
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
228
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
229
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
230
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
231
TITLE: Water gas shift reaction promoted by bimetallic catalysts: An experimental and theoretical overview
AUTHORS: Fajín, JLC ; Gomes, JRB;
PUBLISHED: 2018, SOURCE: Encyclopedia of Interfacial Chemistry: Surface Science and Electrochemistry, PAGES: 314-318
AUTHORS: Fajín, JLC ; Gomes, JRB;
PUBLISHED: 2018, SOURCE: Encyclopedia of Interfacial Chemistry: Surface Science and Electrochemistry, PAGES: 314-318
232
TITLE: About P-glycoprotein: a new drugable domain is emerging from structural data. A new drugable domain in P-glycoprotein
AUTHORS: Ferreira, RJ; Bonito, CA ; Ferreira, MJU; dos Santos, DJVA ;
PUBLISHED: 2017, SOURCE: WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, VOLUME: 7, ISSUE: 5
AUTHORS: Ferreira, RJ; Bonito, CA ; Ferreira, MJU; dos Santos, DJVA ;
PUBLISHED: 2017, SOURCE: WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, VOLUME: 7, ISSUE: 5
233
TITLE: Advanced In Silico Approaches for Drug Discovery: Mining Information from Multiple Biological and Chemical Data Through mtkQSBER and pt-QSPR Strategies
AUTHORS: Speck Planche, A; Cordeiro, MNDS ;
PUBLISHED: 2017, SOURCE: CURRENT MEDICINAL CHEMISTRY, VOLUME: 24, ISSUE: 16, PAGES: 1687-1704
AUTHORS: Speck Planche, A; Cordeiro, MNDS ;
PUBLISHED: 2017, SOURCE: CURRENT MEDICINAL CHEMISTRY, VOLUME: 24, ISSUE: 16, PAGES: 1687-1704
234
TITLE: Carbon nanotubes’ effect on mitochondrial oxygen flux dynamics: Polarography experimental study and machine learning models using star graph trace invariants of raman spectra
AUTHORS: González Durruthy, M ; Monserrat, JM; Rasulev, B; Casañola Martín, GM; Barreiro Sorrivas, JM; Paraíso Medina, S; Maojo, V; González Díaz, H; Pazos, A; Munteanu, CR;
PUBLISHED: 2017, SOURCE: Nanomaterials, VOLUME: 7, ISSUE: 11, PAGES: 386
AUTHORS: González Durruthy, M ; Monserrat, JM; Rasulev, B; Casañola Martín, GM; Barreiro Sorrivas, JM; Paraíso Medina, S; Maojo, V; González Díaz, H; Pazos, A; Munteanu, CR;
PUBLISHED: 2017, SOURCE: Nanomaterials, VOLUME: 7, ISSUE: 11, PAGES: 386
235
TITLE: Chemoinformatics Profiling of the Chromone Nucleus as a MAO-B/A(2A)AR Dual Binding Scaffold
AUTHORS: Cruz Monteagudo, M; Borges, F ; Cordeiro, MNDS ; Helguera, AM; Tejera, E; Paz y Mino, C; Sanchez Rodriguez, A; Perera Sardina, Y; Perez Castillo, Y;
PUBLISHED: 2017, SOURCE: CURRENT NEUROPHARMACOLOGY, VOLUME: 15, ISSUE: 8, PAGES: 1117-1135
AUTHORS: Cruz Monteagudo, M; Borges, F ; Cordeiro, MNDS ; Helguera, AM; Tejera, E; Paz y Mino, C; Sanchez Rodriguez, A; Perera Sardina, Y; Perez Castillo, Y;
PUBLISHED: 2017, SOURCE: CURRENT NEUROPHARMACOLOGY, VOLUME: 15, ISSUE: 8, PAGES: 1117-1135
236
TITLE: CNT Mitoprotective activity in mitochondrial swelling
AUTHORS: Michael González-Durruthy ; Zeeki Naal; Luciane Alberici; Carlos Curti; Yosberto Cardenas; Jose Monserrat;
PUBLISHED: 2017, SOURCE: Proceedings of MOL2NET 2017, International Conference on Multidisciplinary Sciences, 3rd edition
AUTHORS: Michael González-Durruthy ; Zeeki Naal; Luciane Alberici; Carlos Curti; Yosberto Cardenas; Jose Monserrat;
PUBLISHED: 2017, SOURCE: Proceedings of MOL2NET 2017, International Conference on Multidisciplinary Sciences, 3rd edition
INDEXED IN: 
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TITLE: Consensus strategy in genes prioritization and combined bioinformatics analysis for preeclampsia pathogenesis Full Text
AUTHORS: Eduardo Tejera; Maykel Cruz Monteagudo; German Burgos; Maria Eugenia Sanchez; Aminael Sanchez Rodriguez; Yunierkis Perez Castillo; Fernanda Borges ; Maria Natalia D S Dias Soeiro Cordeiro ; Cesar Paz y Mino; Irene Rebelo ;
PUBLISHED: 2017, SOURCE: BMC MEDICAL GENOMICS, VOLUME: 10, ISSUE: 1
AUTHORS: Eduardo Tejera; Maykel Cruz Monteagudo; German Burgos; Maria Eugenia Sanchez; Aminael Sanchez Rodriguez; Yunierkis Perez Castillo; Fernanda Borges ; Maria Natalia D S Dias Soeiro Cordeiro ; Cesar Paz y Mino; Irene Rebelo ;
PUBLISHED: 2017, SOURCE: BMC MEDICAL GENOMICS, VOLUME: 10, ISSUE: 1
238
TITLE: De novo computational design of compounds virtually displaying potent antibacterial activity and desirable in vitro ADMET profiles Full Text
AUTHORS: Speck Planche, A; Cordeiro, MNDS ;
PUBLISHED: 2017, SOURCE: MEDICINAL CHEMISTRY RESEARCH, VOLUME: 26, ISSUE: 10, PAGES: 2345-2356
AUTHORS: Speck Planche, A; Cordeiro, MNDS ;
PUBLISHED: 2017, SOURCE: MEDICINAL CHEMISTRY RESEARCH, VOLUME: 26, ISSUE: 10, PAGES: 2345-2356
239
TITLE: Decrypting Strong and Weak Single-Walled Carbon Nanotubes Interactions with Mitochondrial Voltage-Dependent Anion Channels Using Molecular Docking and Perturbation Theory Full Text
AUTHORS: González Durruthy, M ; Werhli, AV; Seus, V; Machado, KS; Pazos, A; Munteanu, CR; González Díaz, H; Monserrat, JM;
PUBLISHED: 2017, SOURCE: Scientific Reports, VOLUME: 7, ISSUE: 1
AUTHORS: González Durruthy, M ; Werhli, AV; Seus, V; Machado, KS; Pazos, A; Munteanu, CR; González Díaz, H; Monserrat, JM;
PUBLISHED: 2017, SOURCE: Scientific Reports, VOLUME: 7, ISSUE: 1
240
TITLE: Driving Forces in the Sharpless Epoxidation Reaction: A Coupled AIMD/QTAIM Study Full Text
AUTHORS: Filipe Teixeira ; Ricardo Mosquera; Andre Melo ; cristina freire ; Natalia N D S Cordeiro ;
PUBLISHED: 2017, SOURCE: INORGANIC CHEMISTRY, VOLUME: 56, ISSUE: 4, PAGES: 2124-2134
AUTHORS: Filipe Teixeira ; Ricardo Mosquera; Andre Melo ; cristina freire ; Natalia N D S Cordeiro ;
PUBLISHED: 2017, SOURCE: INORGANIC CHEMISTRY, VOLUME: 56, ISSUE: 4, PAGES: 2124-2134
