Erika McCarthy

9PUBLICATIONS
19CO-AUTHORS
Micro- and nanosystemsTransition metal chemistryBioinformatic methods developmentAcoustics and noise control (excl. architectural acoustics)Software testing, verification and validation
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Publications (9)

|Oct 27, 2026
ΔNAzyme: A Foundational QM/MM Δ-Machine Learning Potential for Nucleic Acid Enzyme Catalysis.

|Oct 25, 2026
A transient third metal ion shapes the catalytic cycle of a group I intron ribozyme.

|May 21, 2025
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

|Oct 24, 2024
The Role of General Acid Catalysis in the Mechanism of an Alkyl Transferase Ribozyme.

Timothy J Wilson, Erika McCarthy, Şölen Ekesan

|Jun 21, 2024
Software Infrastructure for Next-Generation QM/MM-ΔMLP Force Fields.

Timothy J Giese, Jinzhe Zeng, Lauren Lerew

|Feb 17, 2024
Surface-Accelerated String Method for Locating Minimum Free Energy Paths.

Timothy J Giese, Şölen Ekesan, Erika McCarthy

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Frequent Collaborators

9 joint publications

Şölen Ekesan

9 joint publications

Darrin M York

5 joint publications

Timothy J Giese

3 joint publications

Joseph A Piccirilli