Angela K. Wilson

Orcid: 0000-0001-9500-1628

According to our database1, Angela K. Wilson authored at least 16 papers between 2009 and 2023.

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

Timeline

Legend:

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PhD thesis 
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Online presence:

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Bibliography

2023
Binding of Per- and Polyfluoroalkyl Substances (PFAS) to the PPARγ/RXRα-DNA Complex.
J. Chem. Inf. Model., December, 2023

Thermochemistry of per- and polyfluoroalkyl substances.
J. Comput. Chem., February, 2023

2022
Molecular Screening and Toxicity Estimation of 260, 000 Perfluoroalkyl and Polyfluoroalkyl Substances (PFASs) through Machine Learning.
J. Chem. Inf. Model., 2022

2021
SAMPL7: Host-guest binding prediction by molecular dynamics and quantum mechanics.
J. Comput. Aided Mol. Des., 2021

2020
Prediction of pKas of Late Transition-Metal Hydrides via a QM/QM Approach.
J. Comput. Chem., 2020

Domain-based local pair natural orbital methods within the correlation consistent composite approach.
J. Comput. Chem., 2020

SAMPL6 logP challenge: machine learning and quantum mechanical approaches.
J. Comput. Aided Mol. Des., 2020

2018
SAMPL6 host-guest challenge: binding free energies via a multistep approach.
J. Comput. Aided Mol. Des., 2018

2016
Partition coefficients for the SAMPL5 challenge using transfer free energies.
J. Comput. Aided Mol. Des., 2016

2014
Molecular Dynamics Studies of the Protein-Protein Interactions in Inhibitor of κB Kinase-β.
J. Chem. Inf. Model., 2014

2012
Prediction of hydrocarbon enthalpies of formation by various thermochemical schemes.
J. Comput. Chem., 2012

Proton affinities of deoxyribonucleosides via the ONIOM-ccCA methodology.
J. Comput. Chem., 2012

Vibrational frequency scale factors for density functional theory and the polarization consistent basis sets.
J. Comput. Chem., 2012

Comment on the paper "Extensive Theoretical Studies of a New Energetic Material: Tetrazino-Tetrazine-Tetraoxide (TTTO)" by Xinli Song, Jicun Li, Hua Hou, and Baoshan Wang.
J. Comput. Chem., 2012

2011
Harmonic vibrational frequencies: Scale factors for pure, hybrid, hybrid meta, and double-hybrid functionals in conjunction with correlation consistent basis sets.
J. Comput. Chem., 2011

2009
CO<sub>2</sub>-Formatics: How Do Proteins Bind Carbon Dioxide?
J. Chem. Inf. Model., 2009


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