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The consistency of large concerted motions in proteins in molecular dynamics simulations

โœ Scribed by de Groot, B.L.; van Aalten, D.M.; Amadei, A.; Berendsen, H.J.


Book ID
119410807
Publisher
Biophysical Society
Year
1996
Tongue
English
Weight
1000 KB
Volume
71
Category
Article
ISSN
0006-3495

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## 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