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.
['Krystian Eitner', 'T. Gawęda', 'Marcin Hoffmann', 'Miroslawa Jura', 'Leszek Rychlewski', 'Jan Barciszewski']
eHiTS-to-VMD Interface Application. The Search for Tyrosine−tRNA Ligase Inhibitors