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  1. Gallicchio-Lab/receptor-hopping Gallicchio-Lab/receptor-hopping Public

    Simulation input files for the paper "Binding Selectivity Analysis from Alchemical Receptor Hopping and Swapping Free Energy Calculations"

    R 3

  2. Gallicchio-Lab/analytical-model-transfer Gallicchio-Lab/analytical-model-transfer Public

    Analytical model of coupling with corresponding data and optimized parameters to construct analytical model of transfer.

    Mathematica 1