Marie L. Laury

Publication Activity (10 Years)

Years Active: 2011-2021
Publications (10 Years): 2

Top Topics

Factors That Influence

Energy Minimization

Top Venues

J. Comput. Aided Mol. Des.

J. Comput. Chem.

Publications

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) (2021)
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) (2018)
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) (2012)
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) (2011)