X-ray Crystallography Based Study on Molecular Structure

Dear Colleagues,

The discovery of X-ray crystallography a century ago by Sirs William and Lawrence Bragg began a flourishing era of studies on molecular structures. The three-dimensional structure of molecules holds an essential key to understanding and, in some particular cases, predicting their chemical and physical properties, which is the foundation of diverse research fields in modern science, including drug discovery, materials design, structural biology, and quantum mechanics. Accurate atom connectivity with high bond precision (generally better than 0.01 Angstrom) can be achieved in contemporary chemical single-crystal X-ray diffractometers conveniently. X-ray crystallography is advantageous over other structure determination methods, such as cryogenic electron microscopy, in terms of simple sample preparation, user-friendly instrument setup, and low operating expense.

This Special Issue aims to present an overview of the most recent advances in applying X-ray crystallography to a molecular structure. Contributions, including original research manuscripts and reviews, which reveal the studies involving molecular structure determination by X-ray crystallography, are welcome. Studies concerning biologically active small molecules, novel functional materials, and crystallographic data analysis by machine learning will be particularly appreciated.

Dr. Kam-Hung Low
Guest Editor

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