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Interpretation of atomic motion in flexible molecules: Accelerating molecular dynamics simulations

✍ Scribed by Omelyan, Igor; Kovalenko, Andriy


Book ID
111966035
Publisher
The American Physical Society
Year
2012
Tongue
English
Weight
990 KB
Volume
85
Category
Article
ISSN
1063-651X

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A molecular dynamics study of ring forma
✍ W. Smith; A. Wilton; F. MΓΌller-Plathe πŸ“‚ Article πŸ“… 1991 πŸ› Elsevier Science 🌐 English βš– 554 KB

In this exploratory study, the methods of molecular dynamics and Brownian dynamics have been used to investigate the dynamics of ring formation in a simple, idealised, flexible molecule. Particular attention has been paid to the formation and persistence of the bond responsible for ring closure. The