D. Eisenberg and A.D. McLachlan,
Solvation Energy in Protein Folding and Binding,
Nature, Vol. 319 (6050), pp. 199-203, 1986.
B. Guillot,
A Reappraisal of What We Have Learnt During Three Decades of Computer Simulations on Water,
Molecular Liquids, Vol. 101, pp. 219-260, 2002.
R.B. Hermann,
Theory of Hydrophobic Bonding. II: The Correlation of Hydrocarbon Solubility in Water With Solvent Cavity Surface Area,
Journal of Physical Chemistry, Vol. 76, pp. 2754-2759, 1972.
X. Huang, C.J. Margulis and B.J. Berne,
Dewetting-Induced Collapse of Hydrophobic Particles,
Proceedings of the National Academy of Sciences, USA, Vol. 100 (21), pp. 11953-11958, 2003.
M.R. McGann, H.R. Almond, A. Nicholls, J.A. Grant and F.K. Brown,
Gaussian Docking Functions,
Biopolymers, Vol. 68 (1), pp. 76-90, 2003.
A. Nicholls, K.A. Sharp, and B. Honig,
Protein Folding and Association: Insights from the Interfacial and Thermodynamic Properties of Hydrocarbons,
Proteins, Vol. 11 (4), pp. 281-96, 1991.
A. Nicholls, D.L. Mobley, J.P. Guthrie, J.D. Chodera, C.I. Bayly, M.D. Cooper and V.S. Pande,
Predicting Small-Molecule Solvation Free Energies: an Informal Blind Test for Computational Chemistry,
Journal of Medicinal Chemistry, Vol. 51 (4), pp. 769-779, 2008.
A. Nicholls, S. Wlodek and J.A. Grant,
The SAMP1 Solvation Challenge: Further Lessons Regarding the Pitfalls of Parametrization,
Journal of Physical Chemistry B, Vol. 113 (14), pp. 4521-4532, 2009.
Reduce Software for Adding Hydrogens, accessed June 2011,
R.C. Rizzo, T.Aynechi, D.A. Case and I.D. Kuntz,
Estimation of Absolute Free Energies of Hydration Using Continuum Methods: Accuracy of Partial Charge Models and Optimization of Nonpolar Contributions,
Journal of Chemical Theory and Computation, Vol. 2, pp. 128-139, 2006.
K.A. Sharp, A. Nicholls, R. Friedman and B. Honig,
Extracting Hydrophobic Free Energies from Experimental Data: Relationship to Protein Folding and Theoretical Models,
Biochemistry, Vol. 30 (40), pp. 9686-9697, 1991.
K.A. Sharp, A. Nicholls, R.F. Fine and B. Honig,
Reconciling the Magnitude of the Microscopic and Macroscopic Hydrophobic Effects,
SCIENCE, Vol. 252 (5002), pp. 106-109, 1991.
R.C. Tolman,
The Effect of Droplet Size on Surface Tension,
Journal of Chemical Physics, Vol. 17 (3), 333-337, 1949.
J.-F. Truchon, A. Nicholls, J.A. Grant, R.I. Iftimie, B. Roux and C.I. Bayly,
Using Electronic Polarization from the Internal Continuum (EPIC) for Intermolecular Interactions,
Journal of Computational Chemistry, Vol. 31 (4), pp. 811-824, 2009.
J.M. Word, S.C. Lovell, J.S. Richardson and D.C. Richardson,
Asparagine and Glutamine: Using Hydrogen Atom Contacts in the Choice of Sidechain Amide Orientation,
Journal of Molecular Biology, Vol. 285, pp. 1735-1747, 1999.