@inbook{c0358d6661104b25ab89820c74f4838f,
title = "Methods for Efficiently and Accurately Computing Quantum Mechanical Free Energies for Enzyme Catalysis",
keywords = "GROWING STRING METHOD, BENNETT REWEIGHTING SCHEMES, SOLVATION FREE-ENERGIES, CARBONIC-ANHYDRASE-II, AQUEOUS-SOLUTION, THERMODYNAMIC INTEGRATION, MOLECULAR-MECHANICS, PERTURBATION METHOD, ACCEPTANCE RATIO, ISOCOMMITTOR SURFACES, Reaction path, QM/MM, Free energy, QM-Non-Boltzmann Bennett (QM-NBB), Reweighting, Potential of mean force, Bennett's acceptance ratio (BAR)",
author = "Kearns, {F. L.} and Hudson, {P. S.} and S. Boresch and Woodcock, {H. L.}",
note = "Publisher Copyright: {\textcopyright} 2016 Elsevier Inc.",
year = "2016",
doi = "10.1016/bs.mie.2016.05.053",
language = "English",
isbn = "978-0-12-805347-8",
series = "Methods in Enzymology",
publisher = "Elsevier Academic Press",
pages = "75--104",
editor = "Voth, {Gregory A.}",
booktitle = "Computational Approaches for Studying Enzyme Mechanism Part A",
}