Crystal Structure Refinement
Crystal structure refinement is the process of determining accurate atomic coordinates and/or chemical parameters in a crystalline material using information from X-ray diffraction data. This process is essential in chemical and biological sciences as it provides insight into the arrangement of atoms within a crystal and gives valuable information about the molecular structure of a material, and its chemical and physical properties. Crystal structure refinement can be used to design compounds for specific purposes, to understand how small molecular changes affect molecular function, and to assist in drug design and development. Additionally, by optimizing the accuracy of the crystal structure it can help improve the prediction of material properties such as reactivity and stability.
← Journal of New Developments in Molecular Biology