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: 646
15 Team MembersFilters -> Year: 2026
281
TITLE: Molecular Dynamics Simulation Study of the Selectivity of a Silica Polymer for Ibuprofen Full Text
AUTHORS: Riccardo Concu ; Natalia N D S Cordeiro ;
PUBLISHED: 2016, SOURCE: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, VOLUME: 17, ISSUE: 7, PAGES: 1083
AUTHORS: Riccardo Concu ; Natalia N D S Cordeiro ;
PUBLISHED: 2016, SOURCE: INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, VOLUME: 17, ISSUE: 7, PAGES: 1083
282
TITLE: Molecular dynamics study of wetting behavior of grafted thermo-responsive PNIPAAm brushes Full Text
AUTHORS: Debdip Bhandary; Zuzana Benkova; Natalia N D S Cordiro ; Jayant K Singh;
PUBLISHED: 2016, SOURCE: SOFT MATTER, VOLUME: 12, ISSUE: 12, PAGES: 3093-3102
AUTHORS: Debdip Bhandary; Zuzana Benkova; Natalia N D S Cordiro ; Jayant K Singh;
PUBLISHED: 2016, SOURCE: SOFT MATTER, VOLUME: 12, ISSUE: 12, PAGES: 3093-3102
283
TITLE: Multiscale Model for the Templated Synthesis of Mesoporous Silica: The Essential Role of Silica Oligomers Full Text
AUTHORS: German Perez Sanchez; Szu Chia Chien; Jose R B Gomes; Natalia N D S Cordeiro ; Scott M Auerbach; Peter A Monson; Miguel Jorge;
PUBLISHED: 2016, SOURCE: CHEMISTRY OF MATERIALS, VOLUME: 28, ISSUE: 8, PAGES: 2715-2727
AUTHORS: German Perez Sanchez; Szu Chia Chien; Jose R B Gomes; Natalia N D S Cordeiro ; Scott M Auerbach; Peter A Monson; Miguel Jorge;
PUBLISHED: 2016, SOURCE: CHEMISTRY OF MATERIALS, VOLUME: 28, ISSUE: 8, PAGES: 2715-2727
284
TITLE: Nitric oxide synthase (NOS) inhibitors in cancer angiogenesis
AUTHORS: Halder, AK ; Mukherjee, A; Adhikari, N; Saha, A; Jha, T;
PUBLISHED: 2016, SOURCE: Current Enzyme Inhibition, VOLUME: 12, ISSUE: 1, PAGES: 49-66
AUTHORS: Halder, AK ; Mukherjee, A; Adhikari, N; Saha, A; Jha, T;
PUBLISHED: 2016, SOURCE: Current Enzyme Inhibition, VOLUME: 12, ISSUE: 1, PAGES: 49-66
INDEXED IN: 
Scopus
Scopus285
TITLE: On the effects of the basis set superposition error on the change of QTAIM charges in adduct formation. Application to complexes between morphine and cocaine and their main metabolites
AUTHORS: David A Rincon; Natalia N D S Cordeiro ; Ricardo A Mosquera;
PUBLISHED: 2016, SOURCE: RSC ADVANCES, VOLUME: 6, ISSUE: 112, PAGES: 110642-110655
AUTHORS: David A Rincon; Natalia N D S Cordeiro ; Ricardo A Mosquera;
PUBLISHED: 2016, SOURCE: RSC ADVANCES, VOLUME: 6, ISSUE: 112, PAGES: 110642-110655
286
TITLE: Predicting the binding properties of single walled carbon nanotubes (SWCNT) with an ADP/ATP mitochondrial carrier using molecular docking, chemoinformatics, and nano-QSBR perturbation theory
AUTHORS: González Durruthy, M ; Werhli, AV; Cornetet, L; Machado, KS; González Díaz, H; Wasiliesky, W; Ruas, CP; Gelesky, MA; Monserrat, JM;
PUBLISHED: 2016, SOURCE: RSC Advances, VOLUME: 6, ISSUE: 63, PAGES: 58680-58693
AUTHORS: González Durruthy, M ; Werhli, AV; Cornetet, L; Machado, KS; González Díaz, H; Wasiliesky, W; Ruas, CP; Gelesky, MA; Monserrat, JM;
PUBLISHED: 2016, SOURCE: RSC Advances, VOLUME: 6, ISSUE: 63, PAGES: 58680-58693
287
TITLE: Probing the Hypothesis of SAR Continuity Restoration by the Removal of Activity Cliffs Generators in QSAR
AUTHORS: Maykel Cruz Monteagudo; Jose L Medina Franco; Yunier Perera Sardina; Fernanda Borges ; Eduardo Tejera; Cesar Paz y Mino; Yunierkis Perez Castillo; Aminael Sanchez Rodriguez; Zuleidys Contreras Posada; Natalia N D S Cordeiro ;
PUBLISHED: 2016, SOURCE: CURRENT PHARMACEUTICAL DESIGN, VOLUME: 22, ISSUE: 33, PAGES: 5043-5056
AUTHORS: Maykel Cruz Monteagudo; Jose L Medina Franco; Yunier Perera Sardina; Fernanda Borges ; Eduardo Tejera; Cesar Paz y Mino; Yunierkis Perez Castillo; Aminael Sanchez Rodriguez; Zuleidys Contreras Posada; Natalia N D S Cordeiro ;
PUBLISHED: 2016, SOURCE: CURRENT PHARMACEUTICAL DESIGN, VOLUME: 22, ISSUE: 33, PAGES: 5043-5056
288
TITLE: QSAR-Based Studies of Nanomaterials in the Environment
AUTHORS: Valeria V Kleandrova; Feng Luan; Alejandro Speck-Planche; Natália N D S Cordeiro ;
PUBLISHED: 2016, SOURCE: Pharmaceutical Sciences, PAGES: 1339-1366
AUTHORS: Valeria V Kleandrova; Feng Luan; Alejandro Speck-Planche; Natália N D S Cordeiro ;
PUBLISHED: 2016, SOURCE: Pharmaceutical Sciences, PAGES: 1339-1366
289
TITLE: Robust design of some selective matrix metalloproteinase-2 inhibitors over matrix metalloproteinase-9 through in silico/fragment-based lead identification and de novo lead modification: Syntheses and biological assays Full Text
AUTHORS: Adhikari, N; Halder, AK ; Mallick, S; Saha, A; Saha, KD; Jha, T;
PUBLISHED: 2016, SOURCE: Bioorganic and Medicinal Chemistry, VOLUME: 24, ISSUE: 18, PAGES: 4291-4309
AUTHORS: Adhikari, N; Halder, AK ; Mallick, S; Saha, A; Saha, KD; Jha, T;
PUBLISHED: 2016, SOURCE: Bioorganic and Medicinal Chemistry, VOLUME: 24, ISSUE: 18, PAGES: 4291-4309
290
TITLE: Roots of Acetate-Vanadium Linkage Isomerism: A QTAIM Study Full Text
AUTHORS: Filipe Teixeira ; Ricardo Mosquera; Andre Melo ; cristina freire ; Natalia N D S Cordeiro ;
PUBLISHED: 2016, SOURCE: INORGANIC CHEMISTRY, VOLUME: 55, ISSUE: 7, PAGES: 3653-3662
AUTHORS: Filipe Teixeira ; Ricardo Mosquera; Andre Melo ; cristina freire ; Natalia N D S Cordeiro ;
PUBLISHED: 2016, SOURCE: INORGANIC CHEMISTRY, VOLUME: 55, ISSUE: 7, PAGES: 3653-3662
291
TITLE: Striped gold nanoparticles: New insights from molecular dynamics simulations Full Text
AUTHORS: Vasumathi Velachi; Debdip Bhandary; Jayant K Singh; Natalia N D S Cordeiro ;
PUBLISHED: 2016, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 144, ISSUE: 24, PAGES: 244710
AUTHORS: Vasumathi Velachi; Debdip Bhandary; Jayant K Singh; Natalia N D S Cordeiro ;
PUBLISHED: 2016, SOURCE: JOURNAL OF CHEMICAL PHYSICS, VOLUME: 144, ISSUE: 24, PAGES: 244710
292
TITLE: Understanding M-ligand bonding and mer-/fac-isomerism in tris(8-hydroxyquinolinate) metallic complexes Full Text
AUTHORS: Carlos F R A C Lima ; Ricardo J S Taveira; José C. S. Costa ; Ana M Fernandes; Andre Melo ; Artur M S Silva ; Luis M N B F Santos ;
PUBLISHED: 2016, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 18, ISSUE: 24, PAGES: 16555-16565
AUTHORS: Carlos F R A C Lima ; Ricardo J S Taveira; José C. S. Costa ; Ana M Fernandes; Andre Melo ; Artur M S Silva ; Luis M N B F Santos ;
PUBLISHED: 2016, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 18, ISSUE: 24, PAGES: 16555-16565
293
TITLE: Unveiling the Pathogenic Molecular Mechanisms of the Most Common Variant (p.K329E) in Medium-Chain Acyl-CoA Dehydrogenase Deficiency by in Vitro and in Silico Approaches Full Text
AUTHORS: Catia A Bonito ; Joana Nunes; Joao Leandro; Filipa Louro; Paula Leandro ; Fatima V Ventura; Rita C Guedes;
PUBLISHED: 2016, SOURCE: BIOCHEMISTRY, VOLUME: 55, ISSUE: 51, PAGES: 7086-7098
AUTHORS: Catia A Bonito ; Joana Nunes; Joao Leandro; Filipa Louro; Paula Leandro ; Fatima V Ventura; Rita C Guedes;
PUBLISHED: 2016, SOURCE: BIOCHEMISTRY, VOLUME: 55, ISSUE: 51, PAGES: 7086-7098
294
TITLE: Building a New High-Selective Molecular Imprinted Polymer
AUTHORS: Riccardo Concu ; Maria Natalia Dias Soeiro Cordeiro ;
PUBLISHED: 2015, SOURCE: Proceedings of MOL2NET, International Conference on Multidisciplinary Sciences
AUTHORS: Riccardo Concu ; Maria Natalia Dias Soeiro Cordeiro ;
PUBLISHED: 2015, SOURCE: Proceedings of MOL2NET, International Conference on Multidisciplinary Sciences
INDEXED IN: 
CrossRef
CrossRef295
TITLE: Classification of Natural Estrogen-Like Isoflavonoids and Diphenolics by QSAR Tools
AUTHORS: Feng Luan; Yuxi X Lu; Huitao T Liu; Maria N D S Cordeiro ;
PUBLISHED: 2015, SOURCE: COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, VOLUME: 18, ISSUE: 8, PAGES: 712-722
AUTHORS: Feng Luan; Yuxi X Lu; Huitao T Liu; Maria N D S Cordeiro ;
PUBLISHED: 2015, SOURCE: COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, VOLUME: 18, ISSUE: 8, PAGES: 712-722
296
TITLE: Comparative validated molecular modeling of p53-HDM2 inhibitors as antiproliferative agents Full Text
AUTHORS: Mondal, C; Halder, AK ; Adhikari, N; Saha, A; Saha, KD; Gayen, S; Jha, T;
PUBLISHED: 2015, SOURCE: European Journal of Medicinal Chemistry, VOLUME: 90, PAGES: 860-875
AUTHORS: Mondal, C; Halder, AK ; Adhikari, N; Saha, A; Saha, KD; Gayen, S; Jha, T;
PUBLISHED: 2015, SOURCE: European Journal of Medicinal Chemistry, VOLUME: 90, PAGES: 860-875
297
TITLE: Competitive Paths for Methanol Decomposition on Ruthenium: A DFT Study
AUTHORS: Ana S Moura ; Jose L C Fajin ; Ana S S Pinto; Marcos Mandado; Natalia N D S Cordeiro ;
PUBLISHED: 2015, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 119, ISSUE: 49, PAGES: 27382-27391
AUTHORS: Ana S Moura ; Jose L C Fajin ; Ana S S Pinto; Marcos Mandado; Natalia N D S Cordeiro ;
PUBLISHED: 2015, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY C, VOLUME: 119, ISSUE: 49, PAGES: 27382-27391
298
TITLE: Computational modeling in nanomedicine: prediction of multiple antibacterial profiles of nanoparticles using a quantitative structure-activity relationship perturbation model Full Text
AUTHORS: Alejandro Speck Planche; Valeria V Kleandrova; Feng Luan; Maria Natalia D S Cordeiro ;
PUBLISHED: 2015, SOURCE: NANOMEDICINE, VOLUME: 10, ISSUE: 2, PAGES: 193-204
AUTHORS: Alejandro Speck Planche; Valeria V Kleandrova; Feng Luan; Maria Natalia D S Cordeiro ;
PUBLISHED: 2015, SOURCE: NANOMEDICINE, VOLUME: 10, ISSUE: 2, PAGES: 193-204
299
TITLE: Computer-Aided Discovery in Antimicrobial Research: In Silico Model for Virtual Screening of Potent and Safe Anti-Pseudomonas Agents
AUTHORS: Alejandro Speck Planche; Maria N D S Cordeiro ;
PUBLISHED: 2015, SOURCE: COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, VOLUME: 18, ISSUE: 3, PAGES: 305-314
AUTHORS: Alejandro Speck Planche; Maria N D S Cordeiro ;
PUBLISHED: 2015, SOURCE: COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, VOLUME: 18, ISSUE: 3, PAGES: 305-314
INDEXED IN: Scopus 
WOS
Scopus WOS300
TITLE: Computer-Aided Discovery in Antimicrobial Research: In Silico Model for Virtual Screening of Potent and Safe Anti-Pseudomonas Agents
AUTHORS: Alejandro Speck-Planche; Maria Cordeiro ;
PUBLISHED: 2015, SOURCE: Combinatorial Chemistry & High Throughput Screening, VOLUME: 18, ISSUE: 3, PAGES: 305-314
AUTHORS: Alejandro Speck-Planche; Maria Cordeiro ;
PUBLISHED: 2015, SOURCE: Combinatorial Chemistry & High Throughput Screening, VOLUME: 18, ISSUE: 3, PAGES: 305-314
