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A Local Rigid Body Framework for Global Optimization of Biomolecules (2012)
Journal Article
Kusumaatmaja, H., Whittleston, C., & Wales, D. (2012). A Local Rigid Body Framework for Global Optimization of Biomolecules. Journal of Chemical Theory and Computation, 8(12), 5159-5165. https://doi.org/10.1021/ct3004589

We present a local rigid body framework for simulations of biomolecules. In this framework, arbritrary sets of atoms may be treated as rigid bodies. Such groupings reduce the number of degrees of freedom, which can result in a significant reduction o... Read More about A Local Rigid Body Framework for Global Optimization of Biomolecules.

Wetting-Induced Budding of Vesicles in Contact with Several Aqueous Phases (2012)
Journal Article
Li, Y., Kusumaatmaja, H., Lipowsky, R., & Dimova, R. (2012). Wetting-Induced Budding of Vesicles in Contact with Several Aqueous Phases. Journal of Physical Chemistry B (Soft Condensed Matter and Biophysical Chemistry), 116(6), 1819-1823. https://doi.org/10.1021/jp211850t

Osmotic deflation of vesicles enclosing two liquid phases can lead to bulging of one of the phases from the vesicle body. This budding process is preceded by a complete to partial wetting transition of one of the liquid phases on the membrane and dep... Read More about Wetting-Induced Budding of Vesicles in Contact with Several Aqueous Phases.