Learning about Intermolecular Interactions from the Cambridge Structural Database

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• 作者：Gary M. Battle ; Frank H. Allen
• 刊名：Journal of Chemical Education
• 出版年：2012
• 出版时间：January 1, 2012
• 年：2012
• 卷：89
• 期：1
• 页码：38-44
• 全文大小：865K
• 年卷期：v.89,no.1(January 1, 2012)
• ISSN：1938-1328

文摘

A clear understanding and appreciation of noncovalent interactions, especially hydrogen bonding, are vitally important to students of chemistry and the life sciences, including biochemistry, molecular biology, pharmacology, and medicine. The opportunities afforded by the IsoStar knowledge base of intermolecular interactions to enhance the educational experience of students are summarized. Derived from experimentally determined crystal structures in the Cambridge Structural Database and Protein Data Bank, IsoStar contains geometrical and spatial information on nearly 30,000 different types of interactions in small molecules and proteins.
<h4>Keywords: h4> First-Year Undergraduate/General; Upper-Division Undergraduate; Biochemistry; Chemoinformatics; Organic Chemistry; Inquiry-Based/Discovery Learning; Internet/Web-Based Learning; Hydrogen Bonding; Noncovalent Interactions; X-ray Crystallography