Structure differentiation of hD<sub>3</sub> and hD<sub>2L</sub> receptors simulated in membrane.
- Chiara Bianca Maria Platania (138843)
- Salvatore Salomone (138847)
- Gian Marco Leggio (138849)
- Filippo Drago (138852)
- Claudio Bucolo (138854)
Publication date
September 2012
DOIAbstract
<p>(A) Superimposition of hD<sub>3</sub> (green cartoon) and hD<sub>2</sub> (cyan cartoon) homology models before the refinement with simulation in membrane. (B) structural alignment of hD<sub>3</sub> (green cartoon) and hD<sub>2</sub> (cyan cartoon) receptors after 3 ns of MD simulation in membrane. (C) high correlation of hD<sub>3</sub> and hD<sub>2</sub> binding energies (Autodock Vina) of D<sub>2</sub>-like ligands from homology models without MD refinement. (D) low correlation of hD<sub>3</sub> and hD<sub>2</sub> binding energies (Autodock Vina) of D<sub>2</sub>-like ligands after MD refinement.</p
Add to ORKG