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WIREs Comput Mol Sci
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Polarization effects in molecular interactions

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Standard, additive force fields used in the vast majority of molecular simulations have proven valuable for describing the essential structural and energetic features of complex chemical systems. There is, however, a growing body of evidence that such nonpolarizable force fields cannot provide a fine description in systems where induction effects are significant. Polarizable force fields are designed to account for the variations of the charge distribution in response to the local electric fields created by the environment. Over the past decade, the molecular modeling arena has witnessed the development of new nonadditive force fields at an accelerated pace, which include distinct strategies for the accurate treatment of induction effects. Unavoidably, these developments proved more challenging than anticipated, necessitating various approximations. This contribution aims to provide a concise overview of the recent advances and current status in this field. © 2011 John Wiley & Sons, Ltd. WIREs Comput Mol Sci 2011 1 844‐854 DOI: 10.1002/wcms.32

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Structure and Mechanism > Molecular Structures
Structure and Mechanism > Computational Biochemistry and Biophysics
Simulation Methods > Molecular Dynamics and Monte-Carlo Methods
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