Molecular docking-based test for affinities of two ligands toward vasopressin and oxytocin receptors.
Molecular docking simulations are now fast developing area of research. In this work we describe an effective procedure of preparation of the receptor-ligand complexes. The amino-acid residues involved in ligand binding were identified and described.
Slusarz
R
R
Faculty of Chemistry, University of Gdańsk, Poland. rav@chemik.chem.univ.gda.pl
Kaźmierkiewicz
R
R
Giełdoń
A
A
Lammek
B
B
Ciarkowski
J
J
D000596:Amino Acids / Q000737:chemistry; D055592:Biophysical Phenomena; D001703:Biophysics; D006801:Humans; D008024:Ligands; D008958:Models, Molecular; D011485:Protein Binding; D018045:Receptors, Oxytocin / Q000737:chemistry* / Q000378:metabolism*; D017483:Receptors, Vasopressin / Q000737:chemistry* / Q000378:metabolism*; D013696:Temperature
D000596:Amino Acids; D008024:Ligands; D018045:Receptors, Oxytocin; D017483:Receptors, Vasopressin