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Comparative Study of Generalized Born Models: Born Radii and Peptide Folding

โœ Scribed by Zhu, Jiang; Alexov, Emil; Honig, Barry

Book ID
120408309
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
661 KB
Volume
109
Category
Article
ISSN
0022-3654

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๐Ÿ“œ SIMILAR VOLUMES

Effective Born radii in the generalized
Effective Born radii in the generalized Born approximation: The importance of being perfect
โœ Alexey Onufriev; David A. Case; Donald Bashford ๐Ÿ“‚ Article ๐Ÿ“… 2002 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 203 KB

## Abstract Generalized Born (GB) models provide, for many applications, an accurate and computationally facile estimate of the electrostatic contribution to aqueous solvation. The GB models involve two main types of approximations relative to the Poisson equation (PE) theory on which they are base

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This study characterizes the accuracy of energies and forces computed with a generalized Born (GB) model and the distance-dependent dielectric (DDD) model with respect to detailed finite solutions of the Poisson equation (FDPE). Tests are done for a small molecule in solution and for HIV-1 protease