Marie L. Laury

发表

Harmonic vibrational frequencies: Scale factors for pure, hybrid, hybrid meta, and double‐hybrid functionals in conjunction with correlation consistent basis sets

Ian Haken, Ralph A. Wheeler, Angela K. Wilson, 2011, J. Comput. Chem..

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

Zhi Wang, Jay W. Ponder, Marie L. Laury, 2018, Journal of Computer-Aided Molecular Design.

Vibrational frequency scale factors for density functional theory and the polarization consistent basis sets

Angela K. Wilson, Marie L. Laury, Matthew J. Carlson, 2012, J. Comput. Chem..

Tinker 8: Software Tools for Molecular Design.

Jean-Philip Piquemal, Zhi Wang, Louis Lagardère, 2018, Journal of chemical theory and computation.

Performance of Density Functional Theory for Second Row (4d) Transition Metal Thermochemistry.

Angela K. Wilson, Marie L. Laury, A. Wilson, 2013, Journal of chemical theory and computation.

Comparative Study of Single and Double Hybrid Density Functionals for the Prediction of 3d Transition Metal Thermochemistry.

Angela K. Wilson, Marie L. Laury, W. Jiang, 2012, Journal of chemical theory and computation.

Revised Parameters for the AMOEBA Polarizable Atomic Multipole Water Model.

Jay W Ponder, Vijay S Pande, Teresa Head-Gordon, 2015, The journal of physical chemistry. B.

Interleukin-22 signaling attenuates necrotizing enterocolitis by promoting epithelial cell regeneration

Marie L. Laury, S. Gale, Pawan Kumar, 2021, Cell reports. Medicine.

Accurate and reliable prediction of energetic and spectroscopic properties via electronic structure methods

Marie L. Laury, 2013 .

Pseudopotential-Based Correlation Consistent Composite Approach (rp-ccCA) for First- and Second-Row Transition Metal Thermochemistry.

Marie L. Laury, S. Manivasagam, A. Wilson, 2015, The journal of physical chemistry. A.

Experimental Necrotizing Enterocolitis Signaling Attenuates the Inflammatory Response in Dependent Aryl Hydrocarbon Receptor

Marie L. Laury, S. Gale, M. Good, 2021 .

A phase II study of palbociclib plus letrozole plus trastuzumab as neoadjuvant treatment for clinical stages II and III ER+ HER2+ breast cancer (PALTAN)

Marie L. Laury, J. Hoog, Y. Tao, 2023, npj Breast Cancer.

AMOEBA binding free energies for the SAMPL7 TrimerTrip host–guest challenge

Marie L. Laury, J. Ponder, Yuanjun Shi, 2020, Journal of Computer-Aided Molecular Design.

Examining the heavy p-block with a pseudopotential-based composite method: atomic and molecular applications of rp-ccCA.

Marie L. Laury, A. Wilson, 2012, The Journal of chemical physics.

A pseudopotential-based composite method: the relativistic pseudopotential correlation consistent composite approach for molecules containing 4d transition metals (Y-Cd).

Nathan J DeYonker, Nathan J. DeYonker, Wanyi Jiang, 2011, The Journal of chemical physics.

Indole-3-Carbinol-Dependent Aryl Hydrocarbon Receptor Signaling Attenuates the Inflammatory Response in Experimental Necrotizing Enterocolitis

Marie L. Laury, S. Gale, M. Good, 2021, ImmunoHorizons.

The effect of bovine colostrum/egg supplementation compared with corn/soy flour in young Malawian children: a randomized, controlled clinical trial.

Marie L. Laury, K. Maleta, M. Manary, 2020, The American journal of clinical nutrition.

An Alternative Oat-Containing, Ready-To-Use, Therapeutic Food Does Not Alter Intestinal Permeability or the 16S Ribosomal RNA Fecal Microbiome Configuration Among Children With Severe Malnutrition in Sierra Leone: A Randomized Controlled Trial.

Marie L. Laury, M. Manary, A. Koroma, 2022, The Journal of nutrition.

An Alternative Oat-Containing Ready-To-Use Therapeutic Food Does Not Alter Intestinal Permeability or the 16S Rrna Fecal Microbiome Configuration Among Children With Severe Malnutrition in Sierra Leone: A Randomized Controlled Trial.

Marie L. Laury, M. Manary, A. Koroma, 2022, The Journal of nutrition.

Tinker 8: Software Tools for Molecular Design.

Marie L. Laury, Joshua A. Rackers, Pengyu Y. Ren, 2018, Journal of chemical theory and computation.

Pseudopotential-Based Correlation Consistent Composite Approach (rp-ccCA) for First- and Second-Row Transition Metal Thermochemistry.

Marie L. Laury, S. Manivasagam, A. Wilson, 2015, The journal of physical chemistry. A.

Sodium oligomannate alters gut microbiota, reduces cerebral amyloidosis and reactive microglia in a sex-specific manner

Marie L. Laury, H. Dodiya, M. Schipma, 2024, Molecular neurodegeneration.

Vibrational frequency scale factors for density functional theory and the polarization consistent basis sets

Marie L. Laury, A. Wilson, M. J. Carlson, 2012, J. Comput. Chem..