Impact of Computational Structure-based Methods on Drug Discovery

Author(s): Charles H. Reynolds

Journal Name: Current Pharmaceutical Design

Volume 20 , Issue 20 , 2014

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Structure-based drug design has become an indispensible tool in drug discovery. The emergence of structure-based design is due to gains in structural biology that have provided exponential growth in the number of protein crystal structures, new computational algorithms and approaches for modeling protein-ligand interactions, and the tremendous growth of raw computer power in the last 30 years. Computer modeling and simulation have made major contributions to the discovery of many groundbreaking drugs in recent years. Examples are presented that highlight the evolution of computational structure-based design methodology, and the impact of that methodology on drug discovery.

Keywords: Structure-based design, modeling, computational chemistry, computer-aided drug design.

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Article Details

Year: 2014
Page: [3380 - 3386]
Pages: 7
DOI: 10.2174/138161282020140528105532
Price: $65

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PDF: 63