Journal
TRENDS IN PHARMACOLOGICAL SCIENCES
Volume 34, Issue 10, Pages 549-559Publisher
ELSEVIER SCIENCE LONDON
DOI: 10.1016/j.tips.2013.08.004
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Funding
- National High Technology Research and Development Program of China [2012AA020302]
- State Key Program of Basic Research of China [2009CB918502]
- National Natural Science Foundation of China [21021063, 81230076, 81001399, 21210003]
- National Science and Technology Major Project 'Key New Drug Creation and Manufacturing Program' [2013ZX09507-004]
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In the past decades, China's computational drug design and discovery research has experienced fast development through various novel methodologies. Application of these methods spans a wide range, from drug target identification to hit discovery and lead optimization. In this review, we firstly provide an overview of China's status in this field and briefly analyze the possible reasons for this rapid advancement. The methodology development is then outlined. For each selected method, a short background precedes an assessment of the method with respect to the needs of drug discovery, and, in particular, work from China is highlighted. Furthermore, several successful applications of these methods are illustrated. Finally, we conclude with a discussion of current major challenges and future directions of the field.
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