Thereza A. Soares

Orcid: 0000-0002-5891-6906

According to our database1, Thereza A. Soares authored at least 24 papers between 2005 and 2024.

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

Timeline

2006
2008
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2012
2014
2016
2018
2020
2022
2024
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Legend:

Book 
In proceedings 
Article 
PhD thesis 
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Links

Online presence:

On csauthors.net:

Bibliography

2024
The Impact of Interdisciplinary, Gender and Geographic Distributions on the Citation Patterns of the Journal of Chemical Information and Modeling.
J. Chem. Inf. Model., February, 2024

Editorial: Machine Learning in Materials Science.
J. Chem. Inf. Model., 2024

Enhancing Coarse-Grained Models through Machine Learning.
J. Chem. Inf. Model., 2024

EDITORIAL: Chemical Compound Space Exploration by Multiscale High-Throughput Screening and Machine Learning.
J. Chem. Inf. Model., 2024

2023
Editorial: Editing DNA and RNA through Computations.
J. Chem. Inf. Model., December, 2023

Guidelines for Reporting Molecular Dynamics Simulations in JCIM Publications.
J. Chem. Inf. Model., June, 2023

2022
Computational Chemistry in Asia.
J. Chem. Inf. Model., 2022

The Effect of Surface Composition on the Selective Capture of Atmospheric CO<sub>2</sub> by ZIF Nanoparticles: The Case of ZIF-8.
J. Chem. Inf. Model., 2022

The (Re)-Evolution of Quantitative Structure-Activity Relationship (QSAR) Studies Propelled by the Surge of Machine Learning Methods.
J. Chem. Inf. Model., 2022

Surface Assessment <i>via</i> Grid Evaluation (SuAVE) for Every Surface Curvature and Cavity Shape.
J. Chem. Inf. Model., 2022

Celebrating Diversity, Equity, Inclusion, and Respect in Computational and Theoretical Chemistry.
J. Chem. Inf. Model., 2022

Bias Amplification in Gender, Gender Identity, and Geographical Affiliation.
J. Chem. Inf. Model., 2022

2021
Computational Chemistry in Asia.
J. Chem. Inf. Model., 2021

Advancing Women in Chemistry.
J. Chem. Inf. Model., 2021

2020
Outlook on the Development and Application of Molecular Simulations in Latin America.
J. Chem. Inf. Model., 2020

SuAVE: A Tool for Analyzing Curvature-Dependent Properties in Chemical Interfaces.
J. Chem. Inf. Model., 2020

Rotational Profiler: A Fast, Automated, and Interactive Server to Derive Torsional Dihedral Potentials for Classical Molecular Simulations.
J. Chem. Inf. Model., 2020

Editorial: Method and Data Sharing and Reproducibility of Scientific Results.
J. Chem. Inf. Model., 2020

2019
Molecular Simulation in Latin America: Coming of Age.
J. Chem. Inf. Model., 2019

2017
Polymyxin Binding to the Bacterial Outer Membrane Reveals Cation Displacement and Increasing Membrane Curvature in Susceptible but Not in Resistant Lipopolysaccharide Chemotypes.
J. Chem. Inf. Model., September, 2017

2014
Modeling the electrostatic potential of asymmetric lipopolysaccharide membranes: The MEMPOT algorithm implemented in DelPhi.
J. Comput. Chem., 2014

2008
Molecular Models to Emulate Confinement Effects on the Internal Dynamics of Organophosphorous Hydrolase.
Proceedings of the Advances in Bioinformatics and Computational Biology, 2008

Northwest Trajectory Analysis Capability: A Platform for Enhancing Biophysics Analysis.
Proceedings of the International Conference on Bioinformatics & Computational Biology, 2008

2005
An improved nucleic acid parameter set for the GROMOS force field.
J. Comput. Chem., 2005


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