Angela K. Wilson

18 papers Journal 18
YearRankTypeTitle / Venue / Authors
2025 J jnl
MCEND: An open-source program for quantum electron-nuclear dynamics.
Comput. Phys. Commun.
Inga Ulusoy, Lucas E. Aebersold, Cong Wang, Angela K. Wilson
2024 J jnl
Potential energy surfaces and dynamic properties via ab initio composite and density functional approaches.
J. Comput. Chem.
Prajay Patel, Joseph Chung, Max Aksel Bowman, Inga Ulusoy, Angela K. Wilson
2023 J jnl
Binding of Per- and Polyfluoroalkyl Substances (PFAS) to the PPARγ/RXRα-DNA Complex.
J. Chem. Inf. Model.
Nuno M. S. Almeida, Semiha Kevser Bali, Deepak James, Cong Wang, Angela K. Wilson
2023 J jnl
Thermochemistry of per- and polyfluoroalkyl substances.
J. Comput. Chem.
Timothé R. L. Melin, Preston Harell, Betoul Ali, Narasimhan Loganathan, Angela K. Wilson
2022 J jnl
Molecular Screening and Toxicity Estimation of 260, 000 Perfluoroalkyl and Polyfluoroalkyl Substances (PFASs) through Machine Learning.
J. Chem. Inf. Model.
Thanh T. Lai, David M. Kuntz, Angela K. Wilson
2021 J jnl
SAMPL7: Host-guest binding prediction by molecular dynamics and quantum mechanics.
J. Comput. Aided Mol. Des.
Yigitcan Eken, Nuno M. S. Almeida, Cong Wang, Angela K. Wilson
2020 J jnl
Domain-based local pair natural orbital methods within the correlation consistent composite approach.
J. Comput. Chem.
Prajay Patel, Angela K. Wilson
2020 J jnl
Prediction of pKas of Late Transition-Metal Hydrides via a QM/QM Approach.
J. Comput. Chem.
Prajay Patel, Jiaqi Wang, Angela K. Wilson
2020 J jnl
SAMPL6 logP challenge: machine learning and quantum mechanical approaches.
J. Comput. Aided Mol. Des.
Prajay Patel, David M. Kuntz, Michael R. Jones, Bernard R. Brooks, Angela K. Wilson
2018 J jnl
SAMPL6 host-guest challenge: binding free energies via a multistep approach.
J. Comput. Aided Mol. Des.
Yigitcan Eken, Prajay Patel, Thomas Díaz, Michael R. Jones, Angela K. Wilson
2016 J jnl
Partition coefficients for the SAMPL5 challenge using transfer free energies.
J. Comput. Aided Mol. Des.
Michael R. Jones, Bernard R. Brooks, Angela K. Wilson
2014 J jnl
Molecular Dynamics Studies of the Protein-Protein Interactions in Inhibitor of κB Kinase-β.
J. Chem. Inf. Model.
Michael R. Jones, Cong Liu, Angela K. Wilson
2012 J jnl
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.
Kameron R. Jorgensen, Angela K. Wilson
2012 J jnl
Prediction of hydrocarbon enthalpies of formation by various thermochemical schemes.
J. Comput. Chem.
Brent R. Wilson, Nathan J. DeYonker, Angela K. Wilson
2012 J jnl
Proton affinities of deoxyribonucleosides via the ONIOM-ccCA methodology.
J. Comput. Chem.
Amanda G. Riojas, Joshua R. John, T. Gavin Williams, Angela K. Wilson
2012 J jnl
Vibrational frequency scale factors for density functional theory and the polarization consistent basis sets.
J. Comput. Chem.
Marie L. Laury, Matthew J. Carlson, Angela K. Wilson
2011 J jnl
Harmonic vibrational frequencies: Scale factors for pure, hybrid, hybrid meta, and double-hybrid functionals in conjunction with correlation consistent basis sets.
J. Comput. Chem.
Marie L. Laury, Scott E. Boesch, Ian Haken, Pankaj Sinha, Ralph A. Wheeler, Angela K. Wilson
2009 J jnl
CO
J. Chem. Inf. Model.
Thomas R. Cundari, Angela K. Wilson, Michael L. Drummond, Hector Emanuel Gonzalez, Kameron R. Jorgensen, Stacy Payne, Jordan Braunfeld, Margarita De Jesus, Vanessa M. Johnson