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20092024
most citedPerturbation Potentials to Overcome Order/Disorder Transitions in Alchemical Binding Free Energy Calculations

38 citations · 118 across the 16 of their papers we have counts for

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q-bio.BM2017

Alchemical Response Parameters from an Analytical Model of Molecular Binding

Emilio Gallicchio

We present a parameterized analytical model of alchemical molecular binding. The model describes accurately the free energy profiles of linear single-decoupling alchemical binding…