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Angela K. Wilson
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2020 – today
- 2025
- [j18]Inga Ulusoy, Lucas E. Aebersold, Cong Wang, Angela K. Wilson:
MCEND: An open-source program for quantum electron-nuclear dynamics. Comput. Phys. Commun. 307: 109405 (2025) - 2024
- [j17]Prajay Patel, Joseph Chung, Max Aksel Bowman, Inga Ulusoy, Angela K. Wilson:
Potential energy surfaces and dynamic properties via ab initio composite and density functional approaches. J. Comput. Chem. 45(16): 1352-1363 (2024) - 2023
- [j16]Timothé R. L. Melin, Preston Harell, Betoul Ali, Narasimhan Loganathan, Angela K. Wilson:
Thermochemistry of per- and polyfluoroalkyl substances. J. Comput. Chem. 44(4): 570-580 (2023) - [j15]Nuno M. S. Almeida, Semiha Kevser Bali, Deepak James, Cong Wang, Angela K. Wilson:
Binding of Per- and Polyfluoroalkyl Substances (PFAS) to the PPARγ/RXRα-DNA Complex. J. Chem. Inf. Model. 63(23): 7423-7443 (2023) - 2022
- [j14]Thanh T. Lai, David M. Kuntz, Angela K. Wilson:
Molecular Screening and Toxicity Estimation of 260, 000 Perfluoroalkyl and Polyfluoroalkyl Substances (PFASs) through Machine Learning. J. Chem. Inf. Model. 62(19): 4569-4578 (2022) - 2021
- [j13]Yigitcan Eken, Nuno M. S. Almeida, Cong Wang, Angela K. Wilson:
SAMPL7: Host-guest binding prediction by molecular dynamics and quantum mechanics. J. Comput. Aided Mol. Des. 35(1): 63-77 (2021) - 2020
- [j12]Prajay Patel, David M. Kuntz, Michael R. Jones, Bernard R. Brooks, Angela K. Wilson:
SAMPL6 logP challenge: machine learning and quantum mechanical approaches. J. Comput. Aided Mol. Des. 34(5): 495-510 (2020) - [j11]Prajay Patel, Jiaqi Wang, Angela K. Wilson:
Prediction of pKas of Late Transition-Metal Hydrides via a QM/QM Approach. J. Comput. Chem. 41(3): 171-183 (2020) - [j10]Prajay Patel, Angela K. Wilson:
Domain-based local pair natural orbital methods within the correlation consistent composite approach. J. Comput. Chem. 41(8): 800-813 (2020)
2010 – 2019
- 2018
- [j9]Yigitcan Eken, Prajay Patel, Thomas Díaz, Michael R. Jones, Angela K. Wilson:
SAMPL6 host-guest challenge: binding free energies via a multistep approach. J. Comput. Aided Mol. Des. 32(10): 1097-1115 (2018) - 2016
- [j8]Michael R. Jones, Bernard R. Brooks, Angela K. Wilson:
Partition coefficients for the SAMPL5 challenge using transfer free energies. J. Comput. Aided Mol. Des. 30(11): 1129-1138 (2016) - 2014
- [j7]Michael R. Jones, Cong Liu, Angela K. Wilson:
Molecular Dynamics Studies of the Protein-Protein Interactions in Inhibitor of κB Kinase-β. J. Chem. Inf. Model. 54(2): 562-572 (2014) - 2012
- [j6]Kameron R. Jorgensen, Angela K. Wilson:
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. 33(24): 1967-1968 (2012) - [j5]Brent R. Wilson, Nathan J. DeYonker, Angela K. Wilson:
Prediction of hydrocarbon enthalpies of formation by various thermochemical schemes. J. Comput. Chem. 33(25): 2032-2042 (2012) - [j4]Marie L. Laury, Matthew J. Carlson, Angela K. Wilson:
Vibrational frequency scale factors for density functional theory and the polarization consistent basis sets. J. Comput. Chem. 33(30): 2380-2387 (2012) - [j3]Amanda G. Riojas, Joshua R. John, T. Gavin Williams, Angela K. Wilson:
Proton affinities of deoxyribonucleosides via the ONIOM-ccCA methodology. J. Comput. Chem. 33(32): 2590-2601 (2012) - 2011
- [j2]Marie L. Laury, Scott E. Boesch, Ian Haken, Pankaj Sinha, Ralph A. Wheeler, Angela K. Wilson:
Harmonic vibrational frequencies: Scale factors for pure, hybrid, hybrid meta, and double-hybrid functionals in conjunction with correlation consistent basis sets. J. Comput. Chem. 32(11): 2339-2347 (2011)
2000 – 2009
- 2009
- [j1]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:
CO2-Formatics: How Do Proteins Bind Carbon Dioxide? J. Chem. Inf. Model. 49(9): 2111-2115 (2009)
Coauthor Index
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