Can System Truncation Speed up Ligand-Binding Calculations with Periodic Free-Energy Simulations?

Francesco Manzoni, Jon Uranga, Samuel Genheden, Ulf Ryde. Can System Truncation Speed up Ligand-Binding Calculations with Periodic Free-Energy Simulations?. Journal of Chemical Information and Computer Sciences, 57(11):2865-2873, November 2017. [doi]

Abstract

Abstract is missing.