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Mimicking the action of GroEL in molecular dynamics simulations: Application to the refinement of protein structures

โœ Scribed by Hao Fan; Alan E. Mark

Book ID
111752587
Publisher
Cold Spring Harbor Laboratory Press
Year
2006
Tongue
English
Weight
492 KB
Volume
15
Category
Article
ISSN
0961-8368

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Refinement of the primary hydration shel
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โœ Mehdi Bagheri Hamaneh; Matthias Buck ๐Ÿ“‚ Article ๐Ÿ“… 2009 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 720 KB

## Abstract A realistic representation of water molecules is important in molecular dynamics simulation of proteins. However, the standard method of solvating biomolecules, that is, immersing them in a box of water with periodic boundary conditions, is computationally expensive. The primary hydrati