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Molecular Dynamics Simulations of Conformational Change in EPAC

✍ Scribed by Woolf, Thomas B.

Book ID
122235504
Publisher
Biophysical Society
Year
2012
Tongue
English
Weight
82 KB
Volume
102
Category
Article
ISSN
0006-3495

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πŸ“œ SIMILAR VOLUMES

Molecular dynamics simulation of conform
Molecular dynamics simulation of conformational changes in gas-phase RDX
✍ Eric P. Wallis; Donald L. Thompson πŸ“‚ Article πŸ“… 1992 πŸ› Elsevier Science 🌐 English βš– 696 KB

Molecular dynamics simulations are used to study the flexibility of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX). A potentiaienergy surface was constructed using spectroscopic and theoretical data. The activation barrier for the boat-to-twist-boat pseudorotation is calculated to be 0.8 kcal mol-I.

Molecular Dynamics Simulations of Cellul
Molecular Dynamics Simulations of Cellulose Oligomers: Conformational Analysis
✍ SΓ©verine Queyroy; Florian MΓΌller-Plathe; David Brown πŸ“‚ Article πŸ“… 2004 πŸ› John Wiley and Sons 🌐 English βš– 345 KB

## Abstract **Summary:** The results of classical molecular simulations of cellulose oligomers are presented here. The conformations of the chains in the high temperature melt, room temperature quenched melt and gas phase are compared with respect to various geometrical parameters including square