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Enrichment Of Virtual Ligand Screening Hit Discovery By Pre-Screening With Autodock 4.0

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Issue:

Science

 

Written by:

Sarah L

 

Date added:

September 5, 2014

 

Level:

University

 

Grade:

A

 

No of pages / words:

4 / 1092

 

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6641 times

 

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The traditionally methods of lead drug discovery involved chemically synthesis and experimentally testing of individual drug-like molecules in a diverse compound library (Dimasi et al. 1991). The associated generation time and technical complexity for such massive experimental testing is highly costly...
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1991). The associated generation time and technical complexity for such massive experimental testing is highly costly. Furthermore, with the rapid accumulation of high-resolution crystal protein structures and the continual advance in docking technology, high-throughput molecular docking has become a prominent alternative to rational lead discovery (Lyne 2002)...
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