Multistate Method to Efficiently Account for Tautomerism and Protonation in Alchemical Free-Energy Calculations

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Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context:

1. 1Multistate Method to Efficiently Account for Tautomerism and Protonation in Alchemical Free-Energy Calculations2024
2. 2Toward accurate free energy calculations in biomolecular simulation: advances in Markov model reweighting and expanded ensemble method2026
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