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• W1520774188 abstract "This chapter reviews formulation and parametrization of molecular mechanics force fields with special attention to technical and inherent problems. Most striking among the shortcomings is the inadequacy of the simple point charge description as a means to describe energy and forces of interactions between polar molecules and between polar groups in macromolecules, including hydrogen bonds. The current state of efforts to improve the description of polar interactions is discussed." @default.
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• W1520774188 date "2005-01-01" @default.
• W1520774188 modified "2023-09-30" @default.
• W1520774188 title "Hydrogen Bonds In Molecular Mechanics Force Fields" @default.
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• W1520774188 doi "https://doi.org/10.1016/s0065-3233(05)72004-0" @default.
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