Marie L. Laury

According to our database, Marie L. Laury authored at least 4 papers between 2011 and 2021.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2021

AMOEBA binding free energies for the SAMPL7 TrimerTrip host-guest challenge.

Yuanjun Shi, Marie L. Laury, Zhi Wang, Jay W. Ponder

J. Comput. Aided Mol. Des., 2021

2018

Absolute binding free energies for the SAMPL6 cucurbit[8]uril host-guest challenge via the AMOEBA polarizable force field.

Marie L. Laury, Zhi Wang, Aaron S. Gordon, Jay W. Ponder

J. Comput. Aided Mol. Des., 2018

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

2011

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