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- Molecular Docking Virtual Screening Tool To Aid In Drug Discovery Research.
- Published in Wiley, Journal of Computational Chemistry . Link: https://onlinelibrary.wiley.com/doi/abs/10.1002/jcc.27390
- Developed with Synchronized functioning of Python and Batch scripts
-Integerated With Pymol-open-source for visualizing interaction (PSE file) generated from MzDOCK
- Integrated with Molecule Drawing Tool - JSME Editor
- If you are facing any issues or for queries .
Contact us - kabeermuzammil614@gmail.com
MzDOCK Development
- Available on WindowsOS and Linux ubuntu 22.04 and more
- Software Authorship - Muzammil Kabier
Features
- Multiple Ligand Docking
- Side Chain Flexibility Virtual Screening
- Co-crystallized Ligand based Binding Site Configuration Swap window
- Optimization using Forcefields (MMFF94, MMFF94s,UFF,GAFF and Ghemical)
- Various Ligand Input File Formats(.pdb,.sdf,.mol,.mol2,SMILES)
- Option to include Ions and Cofactors, Retain Water in the Protein
- Comprehensive Analysis Report of Protein-Ligand Complex
- Multiple scoring functions(vina, smina, vinardo and AD4)
- Automatic Cognate Redocking with RMSD Calculation
- In-Built PyMOL
- PLIP 3D and 2D Interactions
Project Samples
