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20212024
most citedApplication of the Alchemical Transfer and Potential of Mean Force Methods to the SAMPL8 Host-Guest Blinded Challenge

14 citations · 16 across the 5 of their papers we have counts for

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physics.chem-ph2024

Potential Distribution Theory of Alchemical Transfer

Solmaz Azimi, Emilio Gallicchio

We present an analytical description of the Alchemical Transfer Method (ATM) for molecular binding using the Potential Distribution Theory (PDT) formalism. ATM models the binding f…

physics.chem-ph2024★ 1 cited

Binding Selectivity Analysis from Alchemical Receptor Hopping and Swapping Free Energy Calculations

Solmaz Azimi, Emilio Gallicchio

We present receptor hopping and receptor swapping free energy estimation protocols based on the Alchemical Transfer Method (ATM) to model the binding selectivity of a set of ligand…