Concepedia

Kira A. Armacost

KA

13

Publications

897

Citations

13

H-Index

2010

Active since

Affiliations

University of Michigan(Current)

United States Military Academy

Auburn University

Quantitative BioSciences

ETH Zurich

Kira A. Armacost is an author at University of Michigan specializing in engineering, natural sciences, and computational chemistry.

Top concepts

Publications per year

2010–2022

13

Publications

13

Parametrization of halogen bonds in the CHARMM general force field: Improved treatment of ligand–protein interactions

Ignacio Soteras, Fang-Yu Lin, Kenno Vanommeslaeghe et al. · Bioorganic & Medicinal Chemistry · 2016 · 284 citations · Full text

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Structures of active-state orexin receptor 2 rationalize peptide and small-molecule agonist recognition and receptor activation

Chuan Hong, Noel Byrne, Beata Zamlynny et al. · Nature Communications · 2021 · 116 citations · Full text

Molecular Mechanism for Isoform-Selective Inhibition of Acyl Protein Thioesterases 1 and 2 (APT1 and APT2)

Sang Joon Won, Dahvid Davda, Kristin Jansen Labby et al. · ACS Chemical Biology · 2016 · 103 citations · Full text

, , +21

Claisen Rearrangements: Insight into Solvent Effects and “on Water” Reactivity from QM/MM Simulations

Orlando Acevedo, Kira A. Armacost · Journal of the American Chemical Society · 2010 · 97 citations

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Adaptive Landscape Flattening Accelerates Sampling of Alchemical Space in Multisite λ Dynamics

Ryan L. Hayes, Kira A. Armacost, Jonah Z. Vilseck et al. · The Journal of Physical Chemistry B · 2017 · 73 citations · Full text

, , +20

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