Abstract:
The problem of ligand binding to certain receptor proteins is of central importance in cellular signaling, but it is still unresolved at a molecular level. In order to enhance our understanding of the molecular mechanisms we used a biophysical approach to study a serotonin-gated ion channel. The molecular model of 5-HT3 receptor extracellular domain was created using computer-based homology modeling. The docking method was used for building complexes of the 5-HT3 receptor and ligands. Some different activities were investigated by the method of molecular dynamics
Citation:
A. V. Popinako, “Molecular modeling and dynamics of serotonin 5-HT3 receptor and ligands”, Computer Research and Modeling, 3:3 (2011), 329–334