Publications by authors named "Erika McCarthy"

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Polycystic Ovary Syndrome and the Effects of a Ketogenic Diet: A Scoping Review.
Dayelise Fleigle, Jason Brumitt, Erika McCarthy, Travis Adelman, Corey Asbell

Nutrients· September 2025

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FE-ToolKit: A Versatile Software Suite for Analysis of High-Dimensional Free Energy Surfaces and Alchemical Free Energy Networks.
Timothy J Giese, Ryan Snyder, Zeke Piskulich, German P Barletta, Shi Zhang, Erika McCarthy

J Chem Inf Model· June 2025

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Oxidative and Hydrolytic HNO Formation from a Clinical Drug Hydroxyurea Catalyzed by Horseradish Peroxidase: Basic Mechanism, Active Site Effect, and Implications for Drug Design.
Erika McCarthy, Dariya Baizhigitova, Jia-Min Chu, Yong Zhang

JACS Au· June 2025

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The Role of General Acid Catalysis in the Mechanism of an Alkyl Transferase Ribozyme.
Timothy J Wilson, Erika McCarthy, Şölen Ekesan, Timothy J Giese, Nan-Sheng Li

ACS Catal· October 2024

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Software Infrastructure for Next-Generation QM/MM-ΔMLP Force Fields.
Timothy J Giese, Jinzhe Zeng, Lauren Lerew, Erika McCarthy, Yujun Tao

J Phys Chem B· July 2024

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Surface-Accelerated String Method for Locating Minimum Free Energy Paths.
Timothy J Giese, Şölen Ekesan, Erika McCarthy, Yujun Tao, Darrin M York

J Chem Theory Comput· March 2024

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Catalytic mechanism and pH dependence of a methyltransferase ribozyme (MTR1) from computational enzymology.
Erika McCarthy, Şölen Ekesan, Timothy J Giese, Timothy J Wilson, Jie Deng

Nucleic Acids Res· May 2023

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Dissociative Transition State in Hepatitis Delta Virus Ribozyme Catalysis.
Benjamin Weissman, Şölen Ekesan, Hsuan-Chun Lin, Shahbaz Gardezi, Nan-Sheng Li, Erika McCarthy

J Am Chem Soc· February 2023

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RNA Electrostatics: How Ribozymes Engineer Active Sites to Enable Catalysis.
Şölen Ekesan, Erika McCarthy, David A Case, Darrin M York

J Phys Chem B· August 2022

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Evolution of the SARS-CoV-2 proteome in three dimensions (3D) during the first 6 months of the COVID-19 pandemic.
Joseph H Lubin, Christine Zardecki, Elliott M Dolan, Changpeng Lu, Zhuofan Shen, Erika McCarthy

Proteins· May 2022

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Evolution of the SARS-CoV-2 proteome in three dimensions (3D) during the first six months of the COVID-19 pandemic.
Joseph H Lubin, Christine Zardecki, Elliott M Dolan, Changpeng Lu, Zhuofan Shen, Erika McCarthy

bioRxiv· December 2020

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