The determination of protein structures with a gaussian objective function
R. Usui, Shinji Doi, Satoshi Kumagai · 2004
It is important to determine a three-dimensional protein structure in the elucidation of biological phenomena, the development of drug medicines, etc. The conformation of proteins is mainly analyzed by the NMR (nuclear magnetic resonance) analysis and the X-ray crystallographic analysis. In the NMR analysis, distance data among some atoms are approximately given, and a protein structure is determined by solving the so-called distance geometry problem. In this research, we propose a Gaussian objective function and determine the protein conformation by solving the optimization problem of the objective function.