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Published on: July 22, 2014
eHiTS-to-VMD interface application. The search for tyrosine-tRNA ligase inhibitors
Krystian Eitner1, Tomasz Gaweda, Marcin Hoffmann
1BioInfoBank Institute, ul. Limanowskiego 24A, 60-744 Poznan, Poland. eitner@bioinfo.pl
Abstract:
Owing to the recent development of virtual high-throughput screening (vHTS) and a vast number of compounds subjected to vHTS analyses, it has been essential to automate the processing of computational data required for the analysis and visualization of research results. Using the search for tyrosine-tRNA ligase inhibitors as an example, we present a computer application, an interface between eHiTS software for virtual high-throughput screening and VMD graphic software used to visualize calculation results.
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