Internal force field in proteins seen by divergence entropy.
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ABSTRACT:
SUBMITTER: Marchewka D
PROVIDER: S-EPMC3134777 | biostudies-literature | 2011
REPOSITORIES: biostudies-literature
Publications
Internal force field in proteins seen by divergence entropy.
Marchewka Damian D Banach Mateusz M Roterman Irena I
Bioinformation 20110706 8
The characteristic distribution of non-binding interactions in a protein is described. It establishes that hydrophobic interactions can be characterized by suitable 3D Gauss functions while electrostatic interactions generally follow a random distribution. The implementation of this observation suggests differentiated optimization procedure for these two types of interactions. The electrostatic interaction may follow traditional energy optimization while the criteria for convergence shall measur ...[more]
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