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Updated: Jul 26, 2025

Rapid In Situ Hybridization using Oligonucleotide Probes on Paraformaldehyde-prefixed Brain of Rats with Serotonin Syndrome
Published on: September 23, 2015
On the construction of LIECE models for the serotonin receptor 5-HT R
Aida Shahraki1, Jana Selent2, Peter Kolb3
1Department of Pharmaceutical Chemistry, Philipps-University Marburg, Marbacher Weg 8, 35032, Marburg, Germany.
Abstract:
Computer-aided approaches to ligand design need to balance accuracy with speed. This is particularly true for one of the key parameters to be optimized during ligand development, the free energy of binding (G). Here, we developed simple models based on the Linear Interaction Energy approximation to free energy calculation for a G protein-coupled receptor, the serotonin receptor 2A, and critically evaluated their accuracy. Several lessons can be taken from our calculations, providing information on the influence of the docking software used, the conformational state of the receptor, the cocrystallized ligand, and its comparability to the training/test ligands.
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