학술논문

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
Document Type
Journal
Source
MOLECULES; MAY 10 2023, 28 10, p4006 25p.
Subject
Language
English
ISSN
14203049