Title:
Illustrated Procedure to Perform Molecular Docking Using PyRx and Biovia Discovery Studio Visualizer: A Case Study of 10kt With Atropine
Author(s): Peter Folorunsho Ayodele, Adekunle Toyin Bamigbade, Ololade Omolara Bamigbade , Isaac Abiodun Adeniyi , Esther Shiminenge Tachin , Abiodun Joseph Seweje , Samuel Tobi Farohunbi
Year: 2023
Publisher: PROGRESS IN DRUG DISCOVERY & BIOMEDICAL SCIENCE
File: 
Keywords:
Biovia discovery studio visualizer
ligands
ligand-protein interactions
molecular docking
PyRx
small molecules
URI: https://tau.edu.ng/publications/publication-page.php?i=212&t=illustrated-procedure-to-perform-molecular-docking-using-pyrx-and-biovia-discovery-studio-visualizer-a-case-study-of-10kt-with-atropine
Keywords:
Biovia discovery studio visualizer
ligands
ligand-protein interactions
molecular docking
PyRx
small molecules
URI: https://tau.edu.ng/publications/publication-page.php?i=212&t=illustrated-procedure-to-perform-molecular-docking-using-pyrx-and-biovia-discovery-studio-visualizer-a-case-study-of-10kt-with-atropine
Abstract:
Molecular docking is a bioinformatic modeling technique used in structure-based drug design. It has been a vital tool in drug discovery and the study of biological systems. It plays a crucial role in predicting the interactions of small molecules (ligands) with the binding
site of a protein of interest. This helps in designing more effective and specific drugs. This tutorial aimed at demonstrating a step-by-step procedure for the combined usage of PyRx and Biovia Discovery Studio visualizer in molecular docking.
