eHiTS-to-VMD interface application. The search for tyrosine-tRNA ligase inhibitors.
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.
Eitner
Krystian
K
BioInfoBank Institute, ul. Limanowskiego 24A, 60-744 Poznan, Poland. eitner@bioinfo.pl
Gaweda
Tomasz
T
Hoffmann
Marcin
M
Jura
Mirosława
M
Rychlewski
Leszek
L
Barciszewski
Jan
J
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
D004791:Enzyme Inhibitors; D008024:Ligands; D014448:Tyrosine-tRNA Ligase