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Sci. Pharm.
Volume 77
Issue 7
10.3797/scipharm.oephg.21.PO-04
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Scientia Pharmaceutica is published by MDPI from Volume 84 Issue 3 (2016). Previous articles were published by another publisher in Open Access under a CC-BY (or CC-BY-NC-ND) licence, and they are hosted by MDPI on mdpi.com as a courtesy and upon agreement with Austrian Pharmaceutical Society (Österreichische Pharmazeutische Gesellschaft, ÖPhG).
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Abstract

Induced Fit Docking into a SERT Homology Model

by
A. JURIK
1,*,
R. WEISSENSTEINER
1,
S. SARKER
2,
H. H. SITTE
2,
M. FREISSMUTH
2 and
G. F. ECKER
1
1
Department of Medicinal Chemistry, University of Vienna, Althanstraße 14, 1090, Vienna, Austria
2
Institute of Pharmacology, Medical University of Vienna, Währinger Straße 13a, 1090, Vienna, Austria
*
Author to whom correspondence should be addressed.
Sci. Pharm. 2009, 77(7), 203; https://doi.org/10.3797/scipharm.oephg.21.PO-04
Submission received: 16 April 2009 / Accepted: 16 April 2009 / Published: 16 April 2009
Versions Notes

Abstract

The human serotonin transporter (hSERT), embedded in the presynaptic membrane, is responsible for the reuptake of serotonin from the synaptic cleft, thus terminating neurotransmission. The structure of the SERT has not yet been resolved by experimental means. Determining hypothese for binding modes between ligands and the binding site of a protein with no available high-resolution structural data can be realized by creating a protein homology model, which further can be used as basis for ligand-protein docking experiments. Recently, an efficient docking method taking into account flexibility both of ligand and target, called Induced Fit Docking, has been introduced. Within this study we compare the results obtained with induced fit docking with those which have been obtained recently by applying a statistical approach [1].

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MDPI and ACS Style

JURIK, A.; WEISSENSTEINER, R.; SARKER, S.; SITTE, H.H.; FREISSMUTH, M.; ECKER, G.F. Induced Fit Docking into a SERT Homology Model. Sci. Pharm. 2009, 77, 203. https://doi.org/10.3797/scipharm.oephg.21.PO-04

AMA Style

JURIK A, WEISSENSTEINER R, SARKER S, SITTE HH, FREISSMUTH M, ECKER GF. Induced Fit Docking into a SERT Homology Model. Scientia Pharmaceutica. 2009; 77(Posters (PO)):203. https://doi.org/10.3797/scipharm.oephg.21.PO-04

Chicago/Turabian Style

JURIK, A., R. WEISSENSTEINER, S. SARKER, H. H. SITTE, M. FREISSMUTH, and G. F. ECKER. 2009. "Induced Fit Docking into a SERT Homology Model" Scientia Pharmaceutica 77, Posters (PO): 203. https://doi.org/10.3797/scipharm.oephg.21.PO-04

APA Style

JURIK, A., WEISSENSTEINER, R., SARKER, S., SITTE, H. H., FREISSMUTH, M., & ECKER, G. F. (2009). Induced Fit Docking into a SERT Homology Model. Scientia Pharmaceutica, 77(Posters (PO)), 203. https://doi.org/10.3797/scipharm.oephg.21.PO-04

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