Molecular docking-based test for affinities of two ligands toward vasopressin and oxytocin receptors.

• Authors: Rafał Ślusarz , Rajmund Kaźmierkiewicz , Artur Giełdoń , Bernard Lammek , Jerzy Ciarkowski
• Languages of publication: EN

Abstracts

EN

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.

Keywords

EN

simulated annealing; bioligand docking; GPCR receptor/bioligand interaction; molecular dynamics

• Journal: Acta Biochimica Polonica
• Year: 2001
• Volume: 48
• Issue: 1
• Pages: 131-135

Dates

published

2001

received

2000-11-2

revised

2000-12-23

accepted

2001-02-19

Contributors

author

Rafał Ślusarz

• Faculty of Chemistry, University of Gdańsk, Gdańsk, Poland

author

Rajmund Kaźmierkiewicz

• Faculty of Chemistry, University of Gdańsk, Gdańsk, Poland

author

Artur Giełdoń

• Faculty of Chemistry, University of Gdańsk, Gdańsk, Poland

author

Bernard Lammek

• Faculty of Chemistry, University of Gdańsk, Gdańsk, Poland

author

Jerzy Ciarkowski

• Faculty of Chemistry, University of Gdańsk, Gdańsk, Poland

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