#Hyperchem 8 change background color software
Solving 3D structure of membrane proteins came from theĬomputer modeling where one with the help of special software can construct a protein model on the basis of Therefore, very few membrane protein structures have been determined. NMR on the other hand suits well for solving the 3D structures of membrane proteins (see, e.g., ), but it is costly and suits only for the medium-sized proteins. Membrane proteins are example of such limitation due to difficulties in crystallization since most of such proteins will not dissolve in normal solvents. Although X-ray crystallography is a method by which most of the known protein structures were obtained not all proteins or protein complexes can be crystallized. Both methods have their own benefits and what is more important limitations. There are two main experimental approaches for solving protein 3D structure: X-ray and NMR. The knowledge of three-dimentional (3D) protein structures is vitally important for rational drug design. MOLECULAR DYNAMICS AND ANALYSIS OF MD TRAJECTORIES This process multiplied by overall progress in hardware development made computer simulation to be one of the commonly used tools for studying properties of different molecular systems and objects along with traditional theoretical (analytical) approaches as well as experimental methods. The technical progress in Information technology (IT) has resulted in the development of a variety of new numerical algorithms and approaches for solving different problems with the use of computers. Term computer simulation usually applicable when a computer is involved in research as a solver of a complex mathematical models representing real world processes, experimental study of which is too difficult ( i.e.
The rapid development of computing technology, especially in the last 10 years, has led to an explosion of publications in physics, chemistry, biology, and interdisciplinary sciences, where researches obtain new results with the help of the so-called computer simulation (or “in silico” experiment).
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