Experimental data guided docking of small molecules into homology models of neurotransmitter transporters
- Author(s)
- Andreas Jurik, Amir Seddik, Gerhard F. Ecker
- Abstract
Docking of small molecules into proteins is a key process in structure-based drug design. It helps to derive binding hypotheses and is a standard tool for structure-based virtual screening. However, in case there are no high resolution structures of the protein of interest available, the results obtained require careful validation. In this chapter we present a workflow for experimental data guided docking of small molecules into protein homology models of neurotransmitter transporter.
- Organisation(s)
- Journal
- Neuromethods
- Volume
- 118
- Pages
- 83-89
- No. of pages
- 7
- ISSN
- 0893-2336
- DOI
- https://doi.org/10.1007/978-1-4939-3765-3_5
- Publication date
- 2016
- Peer reviewed
- Yes
- Austrian Fields of Science 2012
- 301207 Pharmaceutical chemistry
- Keywords
- ASJC Scopus subject areas
- General Neuroscience, General Biochemistry,Genetics and Molecular Biology, Pharmacology, Toxicology and Pharmaceutics(all), Psychiatry and Mental health
- Sustainable Development Goals
- SDG 3 - Good Health and Well-being
- Portal url
- https://ucrisportal.univie.ac.at/en/publications/0d2edc19-5467-4569-b949-f996341a654a