Special Issue "X-ray Crystallography Based Study on Molecular Structure"
Deadline for manuscript submissions: 15 March 2024 | Viewed by 5055
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
Manuscript Submission Information
Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.
Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.
Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.
- crystal structure determination
- single crystal diffraction
- powder diffraction
- non-ambient conditions
- charge density
- structure prediction
- non-covalent frameworks
- absolute structure and configuration
- drug design
- computational crystallography