Erika McCarthy

7PUBLICATIONS
15CO-AUTHORS
Bioinformatic methods developmentAcoustics and noise control (excl. architectural acoustics)Software testing, verification and validationStatistical mechanics in chemistryMedical molecular engineering of nucleic acids and proteins
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Publications (7)

|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

|Apr 18, 2023
Catalytic mechanism and pH dependence of a methyltransferase ribozyme (MTR1) from computational enzymology.

Erika McCarthy, Şölen Ekesan, Timothy J Giese

|Jan 27, 2023
Dissociative Transition State in Hepatitis Delta Virus Ribozyme Catalysis.

Benjamin Weissman, Şölen Ekesan, Hsuan-Chun Lin

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Frequent Collaborators

7 joint publications

Şölen Ekesan

7 joint publications

Darrin M York

4 joint publications

Timothy J Giese

2 joint publications

Joseph A Piccirilli