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eHiTS-to-VMD interface application. The search for tyrosine-tRNA ligase inhibitors.

Authors :
Eitner K
Gaweda T
Hoffmann M
Jura M
Rychlewski L
Barciszewski J
Source :
Journal of chemical information and modeling [J Chem Inf Model] 2007 Mar-Apr; Vol. 47 (2), pp. 695-702.
Publication Year :
2007

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.

Details

Language :
English
ISSN :
1549-9596
Volume :
47
Issue :
2
Database :
MEDLINE
Journal :
Journal of chemical information and modeling
Publication Type :
Academic Journal
Accession number :
17381179
Full Text :
https://doi.org/10.1021/ci600392r