Introduction to Nonsmooth Optimization by Adil Bagirov Napsu Karmitsa & Marko M. Mäkelä

Author:Adil Bagirov, Napsu Karmitsa & Marko M. Mäkelä
Language: eng
Format: epub
Publisher: Springer International Publishing, Cham

The determination of the conformation of a molecule, especially in the protein folding framework, is one of the most important problems in computational chemistry and biology. This is because the conformation is strongly associated with the chemical and biological properties of the molecule. The determination of the molecular conformation can be tackled either by minimizing the potential energy function (if the conformation corresponds to the global minimizer of this function) or by solving a distance geometry problem where some or all distances between the pairs of atoms are known. Both of these methods end in some sort of global optimization problem. The distances required in the distance geometry problem may be obtained e.g. via nuclear magnetic resonance (NMR) spectroscopy.

The molecular distance geometry problem (MDGP) can be formulated as follows Find positions of atoms in such that

Download

Copyright Disclaimer:
This site does not store any files on its server. We only index and link to content provided by other sites. Please contact the content providers to delete copyright contents if any and email us, we'll remove relevant links or contents immediately.