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Theoretical and Computational Chemistry

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Katherine Inzani

2 results in Authors: Katherine Inzani

Theoretical and Computational Chemistry

Quantum Chemical Characterization of Rotamerism in Thio-Michael Additions for Targeted Covalent Inhibitors

Shayantan Chaudhuri, David Rogers, Christopher Hayes, Katherine Inzani, Jonathan Hirst

Version 1 posted 07 May 2024

215

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Theoretical and Computational Chemistry

Challenges and Advances in the Simulation of Targeted Covalent Inhibitors Using Quantum Computing

Shayantan Chaudhuri, Bang Huynh, Ross Amory, David Rogers, Aiden Cranney, Luis Martínez-Martínez, Tommaso Macrì, Glenn Jones, Evan Sheridan, Abhishek Khedkar, Lana Mineh, Ashley Montanaro, Katherine Inzani, Jonathan Hirst

Version 1 posted 02 June 2025

154

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