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Marie L. Laury

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Journal Articles

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2021
[j4]
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  - journals/jcamd/ShiLWP21
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Yuanjun Shi, Marie L. Laury, Zhi Wang, Jay W. Ponder:
AMOEBA binding free energies for the SAMPL7 TrimerTrip host-guest challenge. J. Comput. Aided Mol. Des. 35(1): 79-93 (2021)
2018
[j3]
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Marie L. Laury, Zhi Wang, Aaron S. Gordon, Jay W. Ponder:
Absolute binding free energies for the SAMPL6 cucurbit[8]uril host-guest challenge via the AMOEBA polarizable force field. J. Comput. Aided Mol. Des. 32(10): 1087-1095 (2018)
2012
[j2]
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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)
2011
[j1]
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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)

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