Learning about Intermolecular Interactions from the Cambridge Structural Database

被引：14

作者：

Battle, Gary M. ^{[1
]}

Allen, Frank H. ^{[1
]}

机构：

[1] CCDC, Cambridge CB2 1EZ, England

来源：

JOURNAL OF CHEMICAL EDUCATION | 2012年 / 89卷 / 01期

关键词：

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; CARBONYL-CARBONYL INTERACTIONS; MOLECULAR RECOGNITION; CHEMISTRY; INFORMATION; SUBSET; OXYGEN;

D O I：

10.1021/ed200139t

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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.

引用

页码：38 / 44

页数：7

共 30 条

[11] A Medicinal Chemist's Guide to Molecular Interactions [J].