Development of accurate force fields for the simulation of biomineralisation
The existence of an accurate force field model that reproduces the free energy landscape is a key pre-requisite for the simulation of biomineralisation. Here the stages in the development of such a model are discussed including the quality of the water model, the thermodynamics of polymorphism and t...
| Main Authors: | , , |
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| Other Authors: | |
| Format: | Book Chapter |
| Published: |
Academic Press
2013
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| Subjects: | |
| Online Access: | http://hdl.handle.net/20.500.11937/8315 |