期刊
BRIEFINGS IN BIOINFORMATICS
卷 14, 期 6, 页码 745-752出版社
OXFORD UNIV PRESS
DOI: 10.1093/bib/bbs063
关键词
computer-aided drug design; haptics; 3D virtual environments; 3D printing; flexible docking
资金
- EDGE (National Network for Genomic Research) EU
- Greek State [09SYN-13-901 EPAN II]
- European Union (European Social Fund-ESF)
- Greek national funds through the Operational Program 'Education and Lifelong Learning' of the National Strategic Reference Framework (NSRF)-Research Funding Program, Shales and Investing in knowledge society through the European Social Fund
The quest for small drug-like compounds that selectively inhibit the function of biological targets has always been a major focus in the pharmaceutical industry and in academia as well. High-throughput screening of compound libraries requires time, cost and resources. Therefore, the use of alternative methods is necessary for facilitating lead discovery. Computational techniques that dock small molecules into macromolecular targets and predict the affinity and activity of the small molecule are widely used in drug design and discovery, and have become an integral part of the industrial and academic research. In this review, we present an overview of some state-of-the-art technologies in modern drug design that have been developed for expediting the search for novel drug candidates.
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