CO2-Formatics: How Do Proteins Bind Carbon Dioxide? - 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 (J. Chem. Inf. Model., 2009)

Harmonic vibrational frequencies: Scale factors for pure, hybrid, hybrid meta, and double-hybrid functionals in conjunction with correlation consistent basis sets. - Marie L. Laury; Scott E. Boesch; Ian Haken; Pankaj Sinha; Ralph A. Wheeler; Angela K. Wilson (J. Comput. Chem., 2011)

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. - Kameron R. Jorgensen; Angela K. Wilson (J. Comput. Chem., 2012)

Vibrational frequency scale factors for density functional theory and the polarization consistent basis sets. - Marie L. Laury; Matthew J. Carlson; Angela K. Wilson (J. Comput. Chem., 2012)

Proton affinities of deoxyribonucleosides via the ONIOM-ccCA methodology. - Amanda G. Riojas; Joshua R. John; T. Gavin Williams; Angela K. Wilson (J. Comput. Chem., 2012)

Prediction of hydrocarbon enthalpies of formation by various thermochemical schemes. - Brent R. Wilson; Nathan J. DeYonker; Angela K. Wilson (J. Comput. Chem., 2012)

Molecular Dynamics Studies of the Protein-Protein Interactions in Inhibitor of κB Kinase-β. - Michael R. Jones; Cong Liu 004; Angela K. Wilson (J. Chem. Inf. Model., 2014)

Partition coefficients for the SAMPL5 challenge using transfer free energies. - Michael R. Jones; Bernard R. Brooks; Angela K. Wilson (J. Comput. Aided Mol. Des., 2016)

SAMPL6 host-guest challenge: binding free energies via a multistep approach. - Yigitcan Eken; Prajay Patel; Thomas Díaz; Michael R. Jones; Angela K. Wilson (J. Comput. Aided Mol. Des., 2018)

SAMPL6 logP challenge: machine learning and quantum mechanical approaches. - Prajay Patel; David M. Kuntz; Michael R. Jones; Bernard R. Brooks; Angela K. Wilson (J. Comput. Aided Mol. Des., 2020)

Domain-based local pair natural orbital methods within the correlation consistent composite approach. - Prajay Patel; Angela K. Wilson (J. Comput. Chem., 2020)

Prediction of pKas of Late Transition-Metal Hydrides via a QM/QM Approach. - Prajay Patel; Jiaqi Wang; Angela K. Wilson (J. Comput. Chem., 2020)

SAMPL7: Host-guest binding prediction by molecular dynamics and quantum mechanics. - Yigitcan Eken; Nuno M. S. Almeida; Cong Wang; Angela K. Wilson (J. Comput. Aided Mol. Des., 2021)

Molecular Screening and Toxicity Estimation of 260, 000 Perfluoroalkyl and Polyfluoroalkyl Substances (PFASs) through Machine Learning. - Thanh T. Lai; David M. Kuntz; Angela K. Wilson (J. Chem. Inf. Model., 2022)

Thermochemistry of per- and polyfluoroalkyl substances. - Timothé R. L. Melin; Preston Harell; Betoul Ali; Narasimhan Loganathan; Angela K. Wilson (J. Comput. Chem., 2023)

Binding of Per- and Polyfluoroalkyl Substances (PFAS) to the PPARγ/RXRα-DNA Complex. - Nuno M. S. Almeida; Semiha Kevser Bali; Deepak James; Cong Wang; Angela K. Wilson (J. Chem. Inf. Model., 2023)

Potential energy surfaces and dynamic properties via ab initio composite and density functional approaches. - Prajay Patel; Joseph Chung; Max Aksel Bowman; Inga Ulusoy; Angela K. Wilson (J. Comput. Chem., 2024)

MCEND: An open-source program for quantum electron-nuclear dynamics. - Inga Ulusoy; Lucas E. Aebersold; Cong Wang; Angela K. Wilson (Comput. Phys. Commun., 2025)