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ERIC Number: EJ832500
Record Type: Journal
Publication Date: 2009-Apr
Pages: 2
Abstractor: As Provided
Reference Count: 8
ISSN: ISSN-0021-9584
Conformational Analysis of Drug Molecules: A Practical Exercise in the Medicinal Chemistry Course
Yuriev, Elizabeth; Chalmers, David; Capuano, Ben
Journal of Chemical Education, v86 n4 p477-478 Apr 2009
Medicinal chemistry is a specialized, scientific discipline. Computational chemistry and structure-based drug design constitute important themes in the education of medicinal chemists. This problem-based task is associated with structure-based drug design lectures. It requires students to use computational techniques to investigate conformational properties of drug molecules and relate them to pharmacological activity. This article describes the design and implementation of the practical task (demonstration, conformational search setup, and the analysis of the results) and contains a detailed discussion of students' learning experiences and outcomes, and how these are used for further development of the teaching materials and practices.
Division of Chemical Education of the American Chemical Society. Subscription Department, P.O. Box 1267, Bellmawr, NJ 08099-1267. Tel: 800-691-9846; Tel: 856-931-5825; Fax: 856-931-4115; e-mail:; Web site:
Publication Type: Journal Articles; Reports - Descriptive
Education Level: Higher Education; Postsecondary Education
Audience: Teachers
Language: English
Sponsor: N/A
Authoring Institution: N/A