Emilio Gallicchio
3PUBLICATIONS
5CO-AUTHORS
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Publications (3)
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|Feb 09, 2021
Alchemical transformations for concerted hydration free energy estimation with explicit solvation.Sheenam Khuttan, Solmaz Azimi, Joe Z Wu
|Oct 03, 2019
Perturbation potentials to overcome order/disorder transitions in alchemical binding free energy calculations.Rajat K Pal, Emilio Gallicchio
|Jul 22, 2019
The generalized Boltzmann distribution is the only distribution in which the Gibbs-Shannon entropy equals the thermodynamic entropy.Xiang Gao, Emilio Gallicchio, Adrian E Roitberg
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