원문정보
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초록
영어
Using computational approaches we can dock small molecules into the structures of Macromolecular targets and then score their potential complementarity to binding sites is widely used in hit identification and lead optimization techniques. This review seeks to provide the application of docking in structure-based drug design (binding mode prediction, Lead Identification and Lead optimization), and also discussed how to manage errors in docking methodology in order to overcome certain limitations of docking and scoring algorithm.
목차
Abstract
1. Introduction
2. Theoretical Aspects of Docking
3. Application of Docking Methods in Structure-Based Drug Design
4. Prediction of Binding Mode
5. Virtual Screening for Lead Identification
6. Potency Prediction for Lead Optimization
7. Absorption, Distribution, Metabolism and Excretion Properties
8. Managing Errors in Docking
9. Conclusion
References
1. Introduction
2. Theoretical Aspects of Docking
3. Application of Docking Methods in Structure-Based Drug Design
4. Prediction of Binding Mode
5. Virtual Screening for Lead Identification
6. Potency Prediction for Lead Optimization
7. Absorption, Distribution, Metabolism and Excretion Properties
8. Managing Errors in Docking
9. Conclusion
References
저자정보
참고문헌
자료제공 : 네이버학술정보