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Implicit solvation based on generalized Born theory in different dielectric environments

✍ Scribed by Feig, Michael; Im, Wonpil; Brooks, Charles L.


Book ID
120827410
Publisher
American Institute of Physics
Year
2004
Tongue
English
Weight
403 KB
Volume
120
Category
Article
ISSN
0021-9606

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In this paper, a new method for calculating effective atomic radii within the generalized Born (GB) model of implicit solvation is proposed, for use in computer simulations of biomolecules. First, a new formulation for the GB radii is developed, in which smooth kernels are used to eliminate the dive