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: 608
15 Team MembersFilters -> Year: 2025
201
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 WOS202
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
203
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
WOS204
TITLE: Fusing docking scoring functions improves the virtual screening performance for discovering Parkinson’s disease dual target ligands
AUTHORS: Perez Castillo, Y; Helguera, AM; Cordeiro, MNDS ; Tejera, E; Paz Y Miño, C; Sánchez Rodríguez, A; Borges, F ; Cruz Monteagudo, M;
PUBLISHED: 2017, SOURCE: Current Neuropharmacology, VOLUME: 15, ISSUE: 8, PAGES: 1107-1116
AUTHORS: Perez Castillo, Y; Helguera, AM; Cordeiro, MNDS ; Tejera, E; Paz Y Miño, C; Sánchez Rodríguez, A; Borges, F ; Cruz Monteagudo, M;
PUBLISHED: 2017, SOURCE: Current Neuropharmacology, VOLUME: 15, ISSUE: 8, PAGES: 1107-1116
205
TITLE: Insight into the structural requirements of pyrimidine-based phosphodiesterase 10A (PDE10A) inhibitors by multiple validated 3D QSAR approaches Full Text
AUTHORS: Halder, AK ; Amin, SA; Jha, T; Gayen, S;
PUBLISHED: 2017, SOURCE: SAR and QSAR in Environmental Research, VOLUME: 28, ISSUE: 3, PAGES: 253-273
AUTHORS: Halder, AK ; Amin, SA; Jha, T; Gayen, S;
PUBLISHED: 2017, SOURCE: SAR and QSAR in Environmental Research, VOLUME: 28, ISSUE: 3, PAGES: 253-273
206
TITLE: Janus Gold Nanoparticles from Nanodroplets of Alkyl Thiols: A Molecular Dynamics Study Full Text
AUTHORS: Debdip Bhandary; Vasumathi Valechi; Maria Natalia D S Cordeiro ; Jayant K Singh;
PUBLISHED: 2017, SOURCE: LANGMUIR, VOLUME: 33, ISSUE: 12, PAGES: 3056-3067
AUTHORS: Debdip Bhandary; Vasumathi Valechi; Maria Natalia D S Cordeiro ; Jayant K Singh;
PUBLISHED: 2017, SOURCE: LANGMUIR, VOLUME: 33, ISSUE: 12, PAGES: 3056-3067
207
TITLE: Machine Learning Approach to Predict Enzyme Subclasses
AUTHORS: Concu, R ; González Díaz, H; Cordeiro, MNDS ;
PUBLISHED: 2017, SOURCE: Multi-Scale Approaches in Drug Discovery: From Empirical Knowledge to In silico Experiments and Back, PAGES: 37-53
AUTHORS: Concu, R ; González Díaz, H; Cordeiro, MNDS ;
PUBLISHED: 2017, SOURCE: Multi-Scale Approaches in Drug Discovery: From Empirical Knowledge to In silico Experiments and Back, PAGES: 37-53
INDEXED IN: Scopus 
CrossRef
Scopus CrossRef208
TITLE: Machine learning based multiclassifiers as a neurotoxicity estimation tool for ionic liquids
AUTHORS: Dominguez Lopez, R; Avila de la Cruz, LC; Borges, F; Cordeiro, MNDS ; Paz y Mino, C; Tejera, E; Perez Castillos, Y; Sanchez Rodriguez, A; Perera Sardina, Y; Cruz Monteagudo, M;
PUBLISHED: 2017, SOURCE: AFINIDAD, VOLUME: 74, ISSUE: 578, PAGES: 124-133
AUTHORS: Dominguez Lopez, R; Avila de la Cruz, LC; Borges, F; Cordeiro, MNDS ; Paz y Mino, C; Tejera, E; Perez Castillos, Y; Sanchez Rodriguez, A; Perera Sardina, Y; Cruz Monteagudo, M;
PUBLISHED: 2017, SOURCE: AFINIDAD, VOLUME: 74, ISSUE: 578, PAGES: 124-133
INDEXED IN: WOS
WOS209
TITLE: Molecular dynamics simulations and comparison of two new and high selective imprinted xerogels
AUTHORS: Concu, R ; Azenha, M ; Cordeiro, MN ;
PUBLISHED: 2017, SOURCE: Biopolymers for Medical Applications, PAGES: 339-362
AUTHORS: Concu, R ; Azenha, M ; Cordeiro, MN ;
PUBLISHED: 2017, SOURCE: Biopolymers for Medical Applications, PAGES: 339-362
INDEXED IN: Scopus CrossRef
Scopus CrossRef210
TITLE: Molecular Simulations of the Synthesis of Periodic Mesoporous Silica Phases at High Surfactant Concentrations
AUTHORS: Chien, SC; Perez Sanchez, G; Gomes, JRB; Cordeiro, MNDS ; Jorge, M; Auerbach, SM; Monson, PA;
PUBLISHED: 2017, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 121, ISSUE: 8, PAGES: 4564-4575
AUTHORS: Chien, SC; Perez Sanchez, G; Gomes, JRB; Cordeiro, MNDS ; Jorge, M; Auerbach, SM; Monson, PA;
PUBLISHED: 2017, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 121, ISSUE: 8, PAGES: 4564-4575
211
TITLE: Nanodesk project: development of a web platform for the selection of the nanoparticles of interest for the plastic industry
AUTHORS: Riccardo Concu ; Maria Natalia Dias Soeiro Cordeiro ;
PUBLISHED: 2017, SOURCE: Proceedings of MOL2NET 2017, International Conference on Multidisciplinary Sciences, 3rd edition
AUTHORS: Riccardo Concu ; Maria Natalia Dias Soeiro Cordeiro ;
PUBLISHED: 2017, SOURCE: Proceedings of MOL2NET 2017, International Conference on Multidisciplinary Sciences, 3rd edition
INDEXED IN: CrossRef
CrossRef212
TITLE: New Force Field Model for Propylene Glycol: Insight to Local Structure and Dynamics
AUTHORS: Elisabete S C Ferreira ; Iuliia V Voroshylova ; Volodymyr A Koverga; Carlos M Pereira ; Natalia N D S Cordeiro ;
PUBLISHED: 2017, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 121, ISSUE: 48, PAGES: 10906-10921
AUTHORS: Elisabete S C Ferreira ; Iuliia V Voroshylova ; Volodymyr A Koverga; Carlos M Pereira ; Natalia N D S Cordeiro ;
PUBLISHED: 2017, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 121, ISSUE: 48, PAGES: 10906-10921
213
TITLE: Possible anticancer agents: synthesis, pharmacological activity, and molecular modeling studies on some 5-N -Substituted-2-N-(substituted benzenesulphonyl)-L(+)Glutamines Full Text
AUTHORS: Jha, T; Basu, S; Halder, AK ; Adhikari, N; Samanta, S;
PUBLISHED: 2017, SOURCE: Medicinal Chemistry Research, VOLUME: 26, ISSUE: 7, PAGES: 1437-1458
AUTHORS: Jha, T; Basu, S; Halder, AK ; Adhikari, N; Samanta, S;
PUBLISHED: 2017, SOURCE: Medicinal Chemistry Research, VOLUME: 26, ISSUE: 7, PAGES: 1437-1458
214
TITLE: Prediction of metallic nanotube reactivity for H2O activation Full Text
AUTHORS: Fajin, JLC ; Cordeiro, MNDS ; Gomes, JRB;
PUBLISHED: 2017, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 19, ISSUE: 29, PAGES: 19188-19195
AUTHORS: Fajin, JLC ; Cordeiro, MNDS ; Gomes, JRB;
PUBLISHED: 2017, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 19, ISSUE: 29, PAGES: 19188-19195
215
TITLE: Predictors of satisfaction in patient with silicone breast implants and its association with drug intake habits
AUTHORS: Ines Correia Sa; Natalia N D S Cordeiro ; Jose Amarante ; Marisa Marques ;
PUBLISHED: 2017, SOURCE: ACTA CHIRURGICA BELGICA, VOLUME: 117, ISSUE: 2, PAGES: 89-98
AUTHORS: Ines Correia Sa; Natalia N D S Cordeiro ; Jose Amarante ; Marisa Marques ;
PUBLISHED: 2017, SOURCE: ACTA CHIRURGICA BELGICA, VOLUME: 117, ISSUE: 2, PAGES: 89-98
216
TITLE: Probing the toxicity of nanoparticles: a unified in silico machine learning model based on perturbation theory Full Text
AUTHORS: Concu, R ; Kleandrova, VV; Speck Planche, A; Cordeiro, MNDS ;
PUBLISHED: 2017, SOURCE: NANOTOXICOLOGY, VOLUME: 11, ISSUE: 7, PAGES: 891-906
AUTHORS: Concu, R ; Kleandrova, VV; Speck Planche, A; Cordeiro, MNDS ;
PUBLISHED: 2017, SOURCE: NANOTOXICOLOGY, VOLUME: 11, ISSUE: 7, PAGES: 891-906
217
TITLE: QSAR-based studies of nanomaterials in the environment
AUTHORS: Kleandrova, VV; Luan, F; Speck Planche, A; Cordeiro, MNDS ;
PUBLISHED: 2017, SOURCE: Materials Science and Engineering: Concepts, Methodologies, Tools, and Applications, VOLUME: 3-3, PAGES: 1504-1532
AUTHORS: Kleandrova, VV; Luan, F; Speck Planche, A; Cordeiro, MNDS ;
PUBLISHED: 2017, SOURCE: Materials Science and Engineering: Concepts, Methodologies, Tools, and Applications, VOLUME: 3-3, PAGES: 1504-1532
218
TITLE: QSPR/QSAR-based Perturbation Theory approach and mechanistic electrochemical assays on carbon nanotubes with optimal properties against mitochondrial Fenton reaction experimentally induced by Fe2+-overload Full Text
AUTHORS: González Durruthy, M ; Castro, M; Nunes, SM; Ventura Lima, J; Alberici, LC; Naal, Z; Atique Sawazaki, DT; Curti, C; Ruas, CP; Gelesky, MA; Roy, K; González Díaz, H; Monserrat, JM;
PUBLISHED: 2017, SOURCE: Carbon, VOLUME: 115, PAGES: 312-330
AUTHORS: González Durruthy, M ; Castro, M; Nunes, SM; Ventura Lima, J; Alberici, LC; Naal, Z; Atique Sawazaki, DT; Curti, C; Ruas, CP; Gelesky, MA; Roy, K; González Díaz, H; Monserrat, JM;
PUBLISHED: 2017, SOURCE: Carbon, VOLUME: 115, PAGES: 312-330
219
TITLE: Rational Design of Multi-Target Estrogen Receptors ER alpha and ER beta by QSAR Approaches
AUTHORS: Qi Zhao; Yuxi X Lu; Yan Zhao; Rongchao C Li; Feng Luan; Natalia N D S Cordeiro ;
PUBLISHED: 2017, SOURCE: CURRENT DRUG TARGETS, VOLUME: 18, ISSUE: 5, PAGES: 576-591
AUTHORS: Qi Zhao; Yuxi X Lu; Yan Zhao; Rongchao C Li; Feng Luan; Natalia N D S Cordeiro ;
PUBLISHED: 2017, SOURCE: CURRENT DRUG TARGETS, VOLUME: 18, ISSUE: 5, PAGES: 576-591
220
TITLE: Removal of Pb(II) Ion Using PAMAM Dendrimer Grafted Graphene and Graphene Oxide Surfaces: A Molecular Dynamics Study
AUTHORS: Kommu, A; Velachi, V; Natalia, M ; Cordeiro, DS; Singh, JK;
PUBLISHED: 2017, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 121, ISSUE: 48, PAGES: 9320-9329
AUTHORS: Kommu, A; Velachi, V; Natalia, M ; Cordeiro, DS; Singh, JK;
PUBLISHED: 2017, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY A, VOLUME: 121, ISSUE: 48, PAGES: 9320-9329
