MEDAR - Funetin media-arkisto

Molecular dynamics simulation studies of receptor activity modulation by ligand binding

Dr. Mikael Peräkylä


Kieli: en
Laji: video
Kesto: 00:40:31
Luontiajankohta:  2006-10-23

Molecular dynamics (MD) simulations of vitamin D receptor complexed with ligands having structurally and functionally varying properties have been carried out to investigate atomic level mechanisms of receptor activity modulation. Because receptor activation and repression usually involves large conformational changes and thus are relatively long time scale phenomena, efficient and accurate simulation techniques and analysis methods are needed. Several examples will be shown in which MD simulations and experimental data are successfully combined to illuminate the properties of VDR.

On osa kokonaisuutta: Computational Chemistry Day