Polarizable Force Fields
- 18 August 2012
- book chapter
- Published by Springer Nature
- Vol. 924, 215-241
- https://doi.org/10.1007/978-1-62703-017-5_9
Abstract
This chapter provides an overview of the most common methods for including an explicit description of electronic polarization in molecular mechanics force fields: the induced point dipole, shell, and fluctuating charge models. The importance of including polarization effects in biomolecular simulations is discussed, and some of the most important achievements in the development of polarizable biomolecular force fields to date are highlighted.Keywords
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