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- Title
Let's Dock: A Smart Platform for Molecular Docking.
- Authors
Jabeen, Yaruq; Ansari, Nida; Rasheed, Haroon; Rasheed, Muhammad Asif; Awais, Muhammad; Ibrahim, Muhammad; Kanwal, Sumaira; Khalid, Aqsa; Zahid, Manzoor Ahmad; Jamil, Farrukh
- Abstract
In the past few years, several docking tools have been developed for molecular dockings such as LeDock, rDock, AutoDock Vina, AutoDock, UCSF DOCK, GOLD, Glide, Surflex-Dock, LigandFit and MOEDock. Among these, AutoDock Vina has been widely used by academia for molecular docking. This tool performs docking of a ligand into a protein by seven steps. For docking analysis of several ligands, AutoDock Vina is a time-consuming tool. In order to make AutoDock Vina more efficient and smart way, a platform has been developed in this study. It is designated "Let's Dock". By using this platform, we can perform a docking analysis of several ligands into a protein with AutoDock Vina by just submitting ligands and protein pdb files. Apart from thermodynamic data analysis this platform also calculates descriptors and Lipinski's rule parameters (Rule of Five) of a ligand by a single click.
- Subjects
MOLECULAR docking; SIGNAL recognition particle receptor; LIGAND analysis
- Publication
Pakistan Journal of Zoology, 2022, Vol 54, Issue 4, p1577
- ISSN
0030-9923
- Publication type
Article
- DOI
10.17582/journal.pjz/20210109170113