Relative Ligand-Binding Free Energies Calculated from Multiple Short QM/MM MD Simulations

Steinmann, Casper (PI)

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2018
Relative Ligand-Binding Free Energies Calculated from Multiple Short QM/MM MD Simulations
Svendsen, C. S., Olsson, M. & Ryde, U., 17 May 2018, In: Journal of Chemical Theory and Computation. 14, 6, p. 3228–3237 10 p.
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