Kira A. Armacost - Concepedia

Author

Kira A. Armacost

University of Michigan

Also Known As

Armacost, Kira, K.A. Armacost, Kira A. Armacost, Kira Armacost

Publications

922

Citations

H-Index

Concepts

All Affiliations

University of Michigan United States Military Academy Auburn University Quantitative BioSciences ETH Zurich

About

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

Top Concepts

#	Concept	H-Index	Publications	Citations
1	Engineering	7	7	583
2	Natural Sciences	7	7	325
3	Biochemistry	4	4	222
4	Medicine	2	2	304
5	Biomolecular Engineering	2	2	357

Kira A. Armacost

Publications

897

Citations

H-Index

Page 1

	Year	Citations
Parametrization of halogen bonds in the CHARMM general force field: Improved treatment of ligand–protein interactions Ignacio Soteras, Fang-Yu Lin, Kenno Vanommeslaeghe, Bioorganic & Medicinal Chemistry EngineeringImproved TreatmentMedicineHalogen BondsMolecular Mechanic	2016	284
Structures of active-state orexin receptor 2 rationalize peptide and small-molecule agonist recognition and receptor activation Chuan Hong, Noel Byrne, Beata Zamlynny, Nature Communications	2021	116
Molecular Mechanism for Isoform-Selective Inhibition of Acyl Protein Thioesterases 1 and 2 (APT1 and APT2) Sang Joon Won, Dahvid Davda, Kristin Jansen Labby, ACS Chemical Biology Proteinlipid InteractionMolecular BiologyChemical BiologyEnzymatic ModificationBiosynthesis	2016	103
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 Aromatic Claisen RearrangementsMolecular KineticsChemical EngineeringQm/mm SimulationsEngineering	2010	97
Adaptive Landscape Flattening Accelerates Sampling of Alchemical Space in Multisite λ Dynamics Ryan L. Hayes, Kira A. Armacost, Jonah Z. Vilseck, The Journal of Physical Chemistry B EngineeringComputational ChemistryMolecular DynamicsMolecular ThermodynamicsNumerical Simulation	2017	73
Novel Directions in Free Energy Methods and Applications Kira A. Armacost, Sereina Riniker, Zoe Cournia Journal of Chemical Information and Modeling Numerical AnalysisEngineeringEnergy EfficiencyEnergy ConversionComputational Chemistry	2020	51
Predicting Binding Free Energies in a Large Combinatorial Chemical Space Using Multisite λ Dynamics Jonah Z. Vilseck, Kira A. Armacost, Ryan L. Hayes, The Journal of Physical Chemistry Letters EngineeringMolecular BiologyBinding Free EnergiesComputational ChemistryChemistry	2018	39
Biasing Potential Replica Exchange Multisite λ-Dynamics for Efficient Free Energy Calculations Kira A. Armacost, Garrett B. Goh, Charles L. Brooks Journal of Chemical Theory and Computation	2015	36
Exploring the Aldol Reaction using Catalytic Antibodies and “On Water” Organocatalysts from QM/MM Calculations Kira A. Armacost, Orlando Acevedo Journal of the American Chemical Society EngineeringAldo-keto ReductaseOrganic ChemistryChemistryChemical Biology	2013	26
Structural understanding of non-nucleoside inhibition in an elongating herpesvirus polymerase Robert P. Hayes, Mee Ra Heo, Mark Mason, Nature Communications	2021	23

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