Improvement of binding pose prediction of the MR1 covalent ligands by inclusion of simple pharmacophore constraints and structural waters in the docking process.

Autor: Shamsara, Jamal1 (AUTHOR) jamal.shamsara@pharmazie.uni-marburg.de, Schüürmann, Gerrit1,2 (AUTHOR)
Zdroj: 3 Biotech. 7/19/2023, Vol. 13 Issue 8, p1-15. 15p.
Databáze: Academic Search Ultimate
Nepřihlášeným uživatelům se plný text nezobrazuje