title: eHiTS-to-VMD interface application. The search for tyrosine-tRNA ligase inhibitors.
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.
authors: BioInfoBank Institute, ul. Limanowskiego 24A, 60-744 Poznan, Poland. eitner@bioinfo.pl
authors: Krystian
authors: K
authors: Eitner
authors: Tomasz
authors: T
authors: Gaweda
authors: Marcin
authors: M
authors: Hoffmann
authors: Mirosława
authors: M
authors: Jura
authors: Leszek
authors: L
authors: Rychlewski
authors: Jan
authors: J
authors: Barciszewski
mesh_terms: D001665:Binding Sites; D019295:Computational Biology / Q000379:methods*; D004353:Drug Evaluation, Preclinical / Q000379:methods*; D004791:Enzyme Inhibitors / Q000032:analysis* / Q000737:chemistry / Q000494:pharmacology*; D006801:Humans; D008024:Ligands; D012984:Software; D014448:Tyrosine-tRNA Ligase / Q000037:antagonists & inhibitors* / Q000378:metabolism
chemical_list: D004791:Enzyme Inhibitors; D008024:Ligands; D014448:Tyrosine-tRNA Ligase