M. Natália Dias Soeiro Cordeiro

Publication Activity (10 Years)

Years Active: 1993-2024
Publications (10 Years): 10

Top Topics

Virtual Screening

Molecular Dynamics

Prostate Biopsy

Top Venues

J. Chem. Inf. Model.

Comput. Biol. Medicine

J. Cheminformatics

Comput. Phys. Commun.

Publications

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 (2024)
Soumya Mitra, Amit Kumar Halder, Nilanjan Ghosh, Subhash C. Mandal, M. Natália Dias Soeiro Cordeiro
characterization of 3-benzamidobenzoic acid derivatives as partial agonists of Farnesoid X receptor in the management of NAFLD. Comput. Biol. Medicine 157 (2023)
Amit Kumar Halder, M. Natália Dias Soeiro Cordeiro
QSAR-Co-X: an open source toolkit for multitarget QSAR modelling. J. Cheminformatics 13 (1) (2021)
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) (2020)
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) (2019)
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) (2019)
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) (2019)
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) (2019)
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)
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 (2018)
Daimel Castillo-González, Jean-Louis Mergny, Aurore De Rache, Gisselle Pérez-Machado, Miguel Ángel Cabrera-Pérez, Orazio Nicolotti, Antonellina Introcaso, Giuseppe 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) (2015)
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) (2014)
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) (2011)
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) (2011)
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) (2010)
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) (2008)
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) (2007)
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) (2000)
M. Natália Dias Soeiro Cordeiro, José A. N. F. Gomes
copper-water interaction potential for the simulation of aqueous solutions. J. Comput. Chem. 14 (6) (1993)