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Application of computer simulation techniques to macromolecular theories

โœ Scribed by Moshe Gottlieb


Publisher
Elsevier Science
Year
1977
Tongue
English
Weight
533 KB
Volume
1
Category
Article
ISSN
0097-8485

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โœ W. F. van Gunsteren; H. J. C. Berendsen; F. Colonna; D. Perahia; J. P. Hollenber ๐Ÿ“‚ Article ๐Ÿ“… 1984 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 668 KB

Various algorithms for evaluating nonbonded interactions in molecular dynamics (MD) simulations of macromolecular systems are considered, and a combination of two techniques using a space grid for finding neighbor atoms is proposed. The application of grid search techniques to nonrectangular periodi