Potential energy functions for atomic-level simulations of water and organic and biomolecular systems.

By W. L. Jorgensen, Julian Tirado-Rives. Proceedings of the National Academy of Sciences of the United States of America, 2005

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Potential energy functions for protein design. (2007, methodology): “Previous reviews have described potential energy functions (PEFs) used for molecular mechanics simulations [1,2], protein design [3,4] and protein structure prediction [5].”
Effects of substrate structure and composition on the structure, dynamics, and energetics of water at mineral surfaces: A molecular dynamics modeling study (2006, background): “For comprehensive comparisons between various existing models of water–water interaction see the many excellent recent reviews on the subject (Wallqvist and Mountain, 1999; Finney, 2001; Floris and Tani, 1999; Guillot, 2002; Jorgensen and Tirado-Rives, 2005).”
Comparison of multiple Amber force fields and development of improved protein backbone parameters (2006, background): “4 In this report, we focus on the existing Amber fixed charge additive force fields.”
Fluctuating charge force fields: recent developments and applications from small molecules to macromolecular biological systems (2006, background): “there will be continued development and increased use of polarizable force fields” [103]; furthermore, “.”