M. Natália Dias Soeiro Cordeiro

According to our database1, M. Natália Dias Soeiro Cordeiro authored at least 21 papers between 1993 and 2021.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

Legend:

Book 
In proceedings 
Article 
PhD thesis 
Other 

Links

Online presence:

On csauthors.net:

Bibliography

2021
QSAR-Co-X: an open source toolkit for multitarget QSAR modelling.
J. Cheminformatics, 2021

2020
Understanding the Binding Specificity of G-Protein Coupled Receptors toward G-Proteins and Arrestins: Application to the Dopamine Receptor Family.
J. Chem. Inf. Model., 2020

2019
CompScore: Boosting Structure-Based Virtual Screening Performance by Incorporating Docking Scoring Function Components into Consensus Scoring.
J. Chem. Inf. Model., 2019

MitoTarget Modeling Using ANN-Classification Models Based on Fractal SEM Nano-Descriptors: Carbon Nanotubes as Mitochondrial F0F1-ATPase Inhibitors.
J. Chem. Inf. Model., 2019

QSAR-Co: An Open Source Software for Developing Robust Multitasking or Multitarget Classification-Based QSAR Models.
J. Chem. Inf. Model., 2019

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., 2019

2018
Q2DTor: A program to treat torsional anharmonicity through coupled pair torsions in flexible molecules.
Comput. Phys. Commun., 2018

Mr. Silva and Patient Zero: A Medical Social Network and Data Visualization Information System.
Proceedings of the Simulation, Image Processing, and Ultrasound Systems for Assisted Diagnosis and Navigation, 2018

2016
First Multitarget Chemo-Bioinformatic Model To Enable the Discovery of Antibacterial Peptides against Multiple Gram-Positive Pathogens.
J. Chem. Inf. Model., 2016

2015
Solvent Accessible Surface Area-Based Hot-Spot Detection Methods for Protein-Protein and Protein-Nucleic Acid Interfaces.
J. Chem. Inf. Model., 2015

Harmonization of QSAR Best Practices and Molecular Docking Provides an Efficient Virtual Screening Tool for Discovering New G-Quadruplex Ligands.
J. Chem. Inf. Model., 2015

2014
Dynamic Structure of NGF and proNGF Complexed with p75NTR: Pro-Peptide Effect.
J. Chem. Inf. Model., 2014

Molecular Dynamics Simulations of Complex Mixtures Aimed at the Preparation of Naproxen-Imprinted Xerogels.
J. Chem. Inf. Model., 2014

2013
Chemoinformatics in Drug Design. Artificial Neural Networks for Simultaneous Prediction of Anti-enterococci Activities and Toxicological Profiles.
Proceedings of the IJCCI 2013, 2013

2011
Two New Parameters Based on Distances in a Receiver Operating Characteristic Chart for the Selection of Classification Models.
J. Chem. Inf. Model., 2011

Jointly Handling Potency and Toxicity of Antimicrobial Peptidomimetics by Simple Rules from Desirability Theory and Chemoinformatics.
J. Chem. Inf. Model., 2011

2010
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., 2010

2008
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., 2008

2007
Computational chemistry approach for the early detection of drug-induced idiosyncratic liver toxicity.
J. Comput. Chem., 2007

2000
Parallel Implementation of a Monte Carlo Molecular Simulation Program.
J. Chem. Inf. Comput. Sci., 2000

1993
<i>Ab initio</i> copper-water interaction potential for the simulation of aqueous solutions.
J. Comput. Chem., 1993


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