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: 646
15 Team MembersFilters -> Year: 2026
221
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
222
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
223
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
224
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
225
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
226
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
227
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
228
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: 
CrossRef
CrossRef229
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
230
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
231
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
232
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
233
TITLE: Energetic and Structural Insights into the Molecular and Supramolecular Properties of Rubrene
AUTHORS: Carlos F R A C Lima ; José C. S. Costa ; Luis Spencer S S Lima; Andre Melo ; Artur M S Silva ; Luis M N B F Santos ;
PUBLISHED: 2017, SOURCE: CHEMISTRYSELECT, VOLUME: 2, ISSUE: 5, PAGES: 1759-1769
AUTHORS: Carlos F R A C Lima ; José C. S. Costa ; Luis Spencer S S Lima; Andre Melo ; Artur M S Silva ; Luis M N B F Santos ;
PUBLISHED: 2017, SOURCE: CHEMISTRYSELECT, VOLUME: 2, ISSUE: 5, PAGES: 1759-1769
234
TITLE: Erratum to: Fragment-based in silico modeling of multi-target inhibitors against breast cancer-related proteins Full Text
AUTHORS: Alejandro Speck-Planche; Natália N D S Cordeiro ;
PUBLISHED: 2017, SOURCE: Molecular Diversity, VOLUME: 21, ISSUE: 3, PAGES: 525-525
AUTHORS: Alejandro Speck-Planche; Natália N D S Cordeiro ;
PUBLISHED: 2017, SOURCE: Molecular Diversity, VOLUME: 21, ISSUE: 3, PAGES: 525-525
235
TITLE: Erratum to: Fragment-based in silico modeling of multi-target inhibitors against breast cancer-related proteins (Molecular Diversity, (2017), 21, 3, (511-523), 10.1007/s11030-017-9731-1)
AUTHORS: Speck Planche, A; Cordeiro, MNDS ;
PUBLISHED: 2017, SOURCE: Molecular Diversity, VOLUME: 21, ISSUE: 3, PAGES: 525
AUTHORS: Speck Planche, A; Cordeiro, MNDS ;
PUBLISHED: 2017, SOURCE: Molecular Diversity, VOLUME: 21, ISSUE: 3, PAGES: 525
INDEXED IN: 
Scopus
Scopus236
TITLE: Experimental-Computational Study of Carbon Nanotube Effects on Mitochondrial Respiration: In Silico Nano-QSPR Machine Learning Models Based on New Raman Spectra Transform with Markov-Shannon Entropy Invariants Full Text
AUTHORS: González Durruthy, M ; Alberici, LC; Curti, C; Naal, Z; Atique Sawazaki, DT; Vázquez Naya, JM; González Díaz, H; Munteanu, CR;
PUBLISHED: 2017, SOURCE: Journal of Chemical Information and Modeling, VOLUME: 57, ISSUE: 5, PAGES: 1029-1044
AUTHORS: González Durruthy, M ; Alberici, LC; Curti, C; Naal, Z; Atique Sawazaki, DT; Vázquez Naya, JM; González Díaz, H; Munteanu, CR;
PUBLISHED: 2017, SOURCE: Journal of Chemical Information and Modeling, VOLUME: 57, ISSUE: 5, PAGES: 1029-1044
237
TITLE: Fragment-based in silico modeling of multi-target inhibitors against breast cancer-related proteins Full Text
AUTHORS: Alejandro Speck Planche; Natalia N D S Cordeiro ;
PUBLISHED: 2017, SOURCE: MOLECULAR DIVERSITY, VOLUME: 21, ISSUE: 3, PAGES: 511-523
AUTHORS: Alejandro Speck Planche; Natalia N D S Cordeiro ;
PUBLISHED: 2017, SOURCE: MOLECULAR DIVERSITY, VOLUME: 21, ISSUE: 3, PAGES: 511-523
238
TITLE: Fragment-based in silico modeling of multi-target inhibitors against breast cancer-related proteins (vol 21, pg 511, 2017) Full Text
AUTHORS: Alejandro Speck Planche; Natalia N D S Cordeiro ;
PUBLISHED: 2017, SOURCE: MOLECULAR DIVERSITY, VOLUME: 21, ISSUE: 3, PAGES: 1-13
AUTHORS: Alejandro Speck Planche; Natalia N D S Cordeiro ;
PUBLISHED: 2017, SOURCE: MOLECULAR DIVERSITY, VOLUME: 21, ISSUE: 3, PAGES: 1-13
INDEXED IN: Scopus 
WOS
Scopus WOS239
TITLE: From flamingo dance to (desirable) drug discovery: a nature-inspired approach Full Text
AUTHORS: Aminael Sanchez Rodriguez; Yunierkis Perez Castillo; Stephan C Schurer; Orazio Nicolotti; Giuseppe Felice Mangiatordi; Fernanda Borges ; Natalia N D S Cordeiro ; Eduardo Tejera; Jose L Medina Franco; Maykel Cruz Monteagudo;
PUBLISHED: 2017, SOURCE: DRUG DISCOVERY TODAY, VOLUME: 22, ISSUE: 10, PAGES: 1489-1502
AUTHORS: Aminael Sanchez Rodriguez; Yunierkis Perez Castillo; Stephan C Schurer; Orazio Nicolotti; Giuseppe Felice Mangiatordi; Fernanda Borges ; Natalia N D S Cordeiro ; Eduardo Tejera; Jose L Medina Franco; Maykel Cruz Monteagudo;
PUBLISHED: 2017, SOURCE: DRUG DISCOVERY TODAY, VOLUME: 22, ISSUE: 10, PAGES: 1489-1502
240
TITLE: Fusing Docking Scoring Functions Improves the Virtual Screening Performance for Discovering Parkinson's Disease Dual Target Ligands
AUTHORS: Yunierkis Perez Castilloa; Aliuska Morales Helguerab; Natalia N D S Cordeiro ; Eduardo Tejera; Cesar Paz y Mino; Aminael Sanchez Rodriguez; Fernanda Borgesh ; Maykel Cruz Monteagudo;
PUBLISHED: 2017, SOURCE: CURRENT NEUROPHARMACOLOGY, VOLUME: 15, ISSUE: 8, PAGES: 1107-1116
AUTHORS: Yunierkis Perez Castilloa; Aliuska Morales Helguerab; Natalia N D S Cordeiro ; Eduardo Tejera; Cesar Paz y Mino; Aminael Sanchez Rodriguez; Fernanda Borgesh ; Maykel Cruz Monteagudo;
PUBLISHED: 2017, SOURCE: CURRENT NEUROPHARMACOLOGY, VOLUME: 15, ISSUE: 8, PAGES: 1107-1116
INDEXED IN: WOS
WOS