Modeling growth of 60-unit shells in solution: Early results

D. C. Rapaport

doi:10.1016/j.phpro.2010.08.015

Modeling growth of 60-unit shells in solution: Early results

D. C. Rapaport

Department of Physics

Research output: Contribution to journal › Article › peer-review

Abstract

Current research into supramolecular assembly using molecular dynamics simulation is summarized. Ongoing simulations are aimed at exploring the nature of the growth pathways of larger shells than considered previously, under reversible bonding conditions and in the presence of an explicit solvent.

Original language	English
Pages (from-to)	119-123
Number of pages	5
Journal	Physics Procedia
Volume	4
DOIs	https://doi.org/10.1016/j.phpro.2010.08.015
State	Published - 2010

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abstract = "Current research into supramolecular assembly using molecular dynamics simulation is summarized. Ongoing simulations are aimed at exploring the nature of the growth pathways of larger shells than considered previously, under reversible bonding conditions and in the presence of an explicit solvent.",

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Modeling growth of 60-unit shells in solution: Early results

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