Introducing Drugster: a comprehensive and fully integrated drug design, lead and structure optimization toolkit.
basic_science · Level V
Where this comes from
- Record sourced from PubMed, PMID 23104887.
- Also identified by DOI 10.1093/bioinformatics/bts637.
- No licence information is recorded for this record.
- Because redistribution is not established, this page shows the abstract only. Follow the links below for the full text.
Abstract
Drugster is a fully interactive pipeline designed to break the command line barrier and introduce a new user-friendly environment to perform drug design, lead and structure optimization experiments through an efficient combination of the PDB2PQR, Ligbuilder, Gromacs and Dock suites. Our platform features a novel workflow that guides the user through each logical step of the iterative 3D structural optimization setup and drug design process, by providing a seamless interface to all incorporated packages. Drugster can be freely downloaded via our dedicated server system at http://www.bioacademy.gr/bioinformatics/drugster/.
Medical subject headings
- Drug Design
- Software