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Molecular modeling and dynamics of serotonin 5-HT3 receptor and ligands
Computer Research and Modeling, 2011, v. 3, no. 3, pp. 329-334Citations: 1 (RSCI).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.
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International Interdisciplinary Conference "Mathematics. Computing. Education"