- Shirts MR, Pande VS (2005) Solvation free
energies of amino acid side chain analogs for
common molecular mechanics water models. J
Chem Phys 122(13):134508 - Mobley DL, Dumont ML, Chodera JD, Dill
KA (2007) Comparison of charge models for
fixed-charged force-fields: small molecule
hydration free energies in explicit solvent. J
Phys Chem B 111:2242–2254
95. Hu ̈nenberger PH, McCammon JA (1999)
Effect of artificial periodicity in simulations of
biomolecules under Ewald boundary condi-
tions: a continuum electrostatics study. Bio-
phys Chem 78:69–88
96. Lin Y-L, Aleksandrov A, Simonson T, Roux B
(2014) An overview of electrostatic free energy
computations for solutions and proteins. J
Chem Theory Comput 10(7):2690–2709
232 Matteo Aldeghi et al.