Internal force field in proteins seen by divergence entropy


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 measure the accordance with 3-D Gauss function.

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@inproceedings{Marchewka2011InternalFF, title={Internal force field in proteins seen by divergence entropy}, author={Damian Marchewka and Mateusz Banach and Irena Roterman}, booktitle={Bioinformation}, year={2011} }