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Poisson-Boltzmann calculations versus molecular dynamics simulations for calculating the electrostatic potential of a solvated peptide

✍ Scribed by Gerald Löffler

Publisher: Springer
Year: 1999
Tongue: English
Weight: 334 KB
Volume: 101
Category: Article
ISSN: 1432-2234
DOI: 10.1007/s002140050424

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📜 SIMILAR VOLUMES

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The calculated Madelung energies and Madelung forces of the electrostatic interaction for nine crystal structures are reported. The method of direct summation with two different shifted-force potentials is compared to the Ewald summation. There is a considerable difference in the convergence of the

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