Modeling of the electrostatic potential created by a spherical molecule
作者:
E. Alexov,
E. Mishonova,
期刊:
Journal of Macromolecular Science, Part B
(Taylor Available online 1994)
卷期:
Volume 33,
issue 1
页码: 21-35
ISSN:0022-2348
年代: 1994
DOI:10.1080/00222349408248077
出版商: Taylor & Francis Group
数据来源: Taylor
摘要:
The method of Debye-Hückel is extended so as to be applicable for the purposes of evaluating the electrostatic field caused by charged groups, dipoles, and multipoles, in globular molecules. Charged groups and dipoles may be situated arbitrarily in the protein molecule. The problem is solved using the spherical coordinate system. General expressions for the potential are given. In the case of a protein molecule having a strong dipole moment, the general problem is approximately solved presuming that the potential is caused by an effective dipole moment. The numerical simulation of electrostatic interaction between two molecules with strong dipoles is provided.
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