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ORCIDM. Natália Dias Soeiro Cordeiro
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2020 – today
- 2024
[j21]Soumya Mitra
, Amit Kumar Halder, Arup Koley, Nilanjan Ghosh, Parthasarathi Panda, Subhash C. Mandal, M. Natália Dias Soeiro Cordeiro:
Unveiling structural determinants for FXR antagonism in 1,3,4-trisubstituted-Pyrazol amide derivatives: A multi-scale in silico modelling approach. Comput. Biol. Medicine 180: 108991 (2024)- 2023
- [j20]Soumya Mitra, Amit Kumar Halder, Nilanjan Ghosh, Subhash C. Mandal, M. Natália Dias Soeiro Cordeiro:
Multi-model in silico characterization of 3-benzamidobenzoic acid derivatives as partial agonists of Farnesoid X receptor in the management of NAFLD. Comput. Biol. Medicine 157: 106789 (2023) - 2021
- [j19]Amit Kumar Halder, M. Natália Dias Soeiro Cordeiro:
QSAR-Co-X: an open source toolkit for multitarget QSAR modelling. J. Cheminformatics 13(1): 29 (2021) - 2020
- [j18]António J. Preto, Carlos A. V. Barreto, Salete J. Baptista, José G. de Almeida, Agostinho Lemos, André Melo, M. Natália Dias Soeiro Cordeiro, Zeynep Kurkcuoglu, Rita Melo, Irina S. Moreira:
Understanding the Binding Specificity of G-Protein Coupled Receptors toward G-Proteins and Arrestins: Application to the Dopamine Receptor Family. J. Chem. Inf. Model. 60(8): 3969-3984 (2020)
2010 – 2019
- 2019
- [j17]Michael González-Durruthy, Silvana Manske Nunes, Juliane Ventura-Lima, Marcos A. Gelesky, Humberto González Díaz, José Maria Monserrat, Riccardo Concu, M. Natália Dias Soeiro Cordeiro:
MitoTarget Modeling Using ANN-Classification Models Based on Fractal SEM Nano-Descriptors: Carbon Nanotubes as Mitochondrial F0F1-ATPase Inhibitors. J. Chem. Inf. Model. 59(1): 86-97 (2019) - [j16]Pravin Ambure, Amit Kumar Halder, Humberto González Díaz, M. Natália Dias Soeiro Cordeiro:
QSAR-Co: An Open Source Software for Developing Robust Multitasking or Multitarget Classification-Based QSAR Models. J. Chem. Inf. Model. 59(6): 2538-2544 (2019) - [j15]Yunierkis Pérez-Castillo, Stellamaris Sotomayor-Burneo, Karina Beatriz Jimenes Vargas, Mario Salvador González-Rodríguez, Maykel Cruz-Monteagudo, Vinicio Armijos-Jaramillo, M. Natália Dias Soeiro Cordeiro, Fernanda Borges, Aminael Sánchez-Rodríguez, Eduardo Tejera:
CompScore: Boosting Structure-Based Virtual Screening Performance by Incorporating Docking Scoring Function Components into Consensus Scoring. J. Chem. Inf. Model. 59(9): 3655-3666 (2019) - [j14]Pravin Ambure, Agnieszka Gajewicz-Skretna, M. Natália Dias Soeiro Cordeiro, Kunal Roy:
New Workflow for QSAR Model Development from Small Data Sets: Small Dataset Curator and Small Dataset Modeler. Integration of Data Curation, Exhaustive Double Cross-Validation, and a Set of Optimal Model Selection Techniques. J. Chem. Inf. Model. 59(10): 4070-4076 (2019) - 2018
- [j13]David Ferro-Costas, M. Natália Dias Soeiro Cordeiro, Donald G. Truhlar, Antonio Fernández-Ramos:
Q2DTor: A program to treat torsional anharmonicity through coupled pair torsions in flexible molecules. Comput. Phys. Commun. 232: 190-205 (2018) - [c2]Patrícia C. T. Gonçalves, Ana S. Moura, M. Natália Dias Soeiro Cordeiro, Pedro Campos:
Mr. Silva and Patient Zero: A Medical Social Network and Data Visualization Information System. POCUS/BIVPCS/CuRIOUS/CPM@MICCAI 2018: 111-117 - 2016
- [j12]Alejandro Speck Planche, Valeria V. Kleandrova, Juan M. Ruso, M. N. D. S. Cordeiro:
First Multitarget Chemo-Bioinformatic Model To Enable the Discovery of Antibacterial Peptides against Multiple Gram-Positive Pathogens. J. Chem. Inf. Model. 56(3): 588-598 (2016) - 2015
- [j11]Cristian R. Munteanu, António César Pimenta, Carlos Fernandez-Lozano, André Melo, M. N. D. S. Cordeiro, Irina S. Moreira:
Solvent Accessible Surface Area-Based Hot-Spot Detection Methods for Protein-Protein and Protein-Nucleic Acid Interfaces. J. Chem. Inf. Model. 55(5): 1077-1086 (2015) - [j10]Daimel Castillo-González, Jean-Louis Mergny, Aurore De Rache, Gisselle Pérez-Machado, Miguel Ángel Cabrera-Pérez, Orazio Nicolotti, Antonellina Introcaso, Giuseppe Felice Mangiatordi, Aurore Guédin, Anne Bourdoncle, Teresa M. Garrigues, Federico Pallardó, M. Natália Dias Soeiro Cordeiro, Cesar Paz-y-Miño, Eduardo Tejera, Fernanda Borges, Maykel Cruz-Monteagudo:
Harmonization of QSAR Best Practices and Molecular Docking Provides an Efficient Virtual Screening Tool for Discovering New G-Quadruplex Ligands. J. Chem. Inf. Model. 55(10): 2094-2110 (2015) - 2014
- [j9]António César Pimenta, Daniel F. A. R. Dourado, João M. Martins, André Melo, M. N. Dias Soeiro Cordeiro, Ramiro D. Almeida, Giulia Morra, Irina S. Moreira:
Dynamic Structure of NGF and proNGF Complexed with p75NTR: Pro-Peptide Effect. J. Chem. Inf. Model. 54(7): 2051-2067 (2014) - [j8]Riccardo Concu, Martin Perez, M. Natália Dias Soeiro Cordeiro, Manuel Azenha:
Molecular Dynamics Simulations of Complex Mixtures Aimed at the Preparation of Naproxen-Imprinted Xerogels. J. Chem. Inf. Model. 54(12): 3330-3343 (2014) - 2013
- [c1]Alejandro Speck Planche, M. N. D. S. Cordeiro:
Chemoinformatics in Drug Design. Artificial Neural Networks for Simultaneous Prediction of Anti-enterococci Activities and Toxicological Profiles. IJCCI 2013: 458-465 - 2011
- [j7]Alfonso Pérez-Garrido, Aliuska Morales Helguera, Fernanda Borges, M. Natália Dias Soeiro Cordeiro, Virginia Rivero, Amalio Garrido Escudero:
Two New Parameters Based on Distances in a Receiver Operating Characteristic Chart for the Selection of Classification Models. J. Chem. Inf. Model. 51(10): 2746-2759 (2011) - [j6]Maykel Cruz-Monteagudo, Fernanda Borges, M. Natália Dias Soeiro Cordeiro:
Jointly Handling Potency and Toxicity of Antimicrobial Peptidomimetics by Simple Rules from Desirability Theory and Chemoinformatics. J. Chem. Inf. Model. 51(12): 3060-3077 (2011) - 2010
- [j5]Marcos Mandado, M. Natália Dias Soeiro Cordeiro:
On the stability of metal-aminoacid complexes in water based on water-ligand exchange reactions and electronic properties: Detailed study on iron-glycine hexacoordinated complexes. J. Comput. Chem. 31(15): 2735-2745 (2010)
2000 – 2009
- 2008
- [j4]Maykel Cruz-Monteagudo, Fernanda Borges, M. Natália Dias Soeiro Cordeiro:
Desirability-based multiobjective optimization for global QSAR studies: Application to the design of novel NSAIDs with improved analgesic, antiinflammatory, and ulcerogenic profiles. J. Comput. Chem. 29(14): 2445-2459 (2008) - 2007
- [j3]Maykel Cruz-Monteagudo, M. Natália Dias Soeiro Cordeiro, Fernanda Borges:
Computational chemistry approach for the early detection of drug-induced idiosyncratic liver toxicity. J. Comput. Chem. 29(4): 533-549 (2007) - 2000
- [j2]Alfredo Palace Carvalho, José A. N. F. Gomes, M. Natália Dias Soeiro Cordeiro:
Parallel Implementation of a Monte Carlo Molecular Simulation Program. J. Chem. Inf. Comput. Sci. 40(3): 588-592 (2000)
1990 – 1999
- 1993
- [j1]M. Natália Dias Soeiro Cordeiro, José A. N. F. Gomes:
Ab initio copper-water interaction potential for the simulation of aqueous solutions. J. Comput. Chem. 14(6): 629-638 (1993)
Coauthor Index
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