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Journal: Molecules, 2023
Volume: 28
Number: 4006

Article: Exploring Routes to Enhance the Calculation of Free Energy Differences via Non-Equilibrium Work SQM/MM Switching Simulations Using Hybrid Charge Intermediates between MM and SQM Levels of Theory or Non-Linear Switching Schemes
Authors: by Andreas Schöller, H. Lee Woodcock and Stefan Boresch
Link: https://www.mdpi.com/1420-3049/28/10/4006

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