MzDOCK - Multiple Ligand Docking Tool download

- 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

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License

GNU General Public License version 3.0 (GPLv3)

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User Reviews

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shakeelhoosdall Edited 2025-08-03

dear mzdock in the newest version while analysing the docked pdb using analyse am getting this ipcmd: finished analysis, find the result files in the working directory Checkmate = 'NOTDONE' and checkmate not defined no report plip found in the oldrr version didnt get this problem

Reply from MzDOCK - Multiple Ligand Docking Tool

Posted 2025-05-27

yes, its done automatically in the newest versions (redocking doesn't have to be done manually and furthermore, calculates RMSD with native pose). Thank you for the kind comment
somansmail Posted 2024-08-01

Good to use

Reply from MzDOCK - Multiple Ligand Docking Tool

Posted 2024-08-16

Thank You For Valuable Feedback!! We Are Happy That You Found It Useful For Your Project.
meenujaya123 Posted 2024-06-11

It is very convenient and simplest molecular docking software.it was helpful for my project

Reply from MzDOCK - Multiple Ligand Docking Tool

Posted 2024-06-11

Thank You For Valuable Feedback!! We Are Happy That You Found It Useful For Your Project. For Queries , Please Mail On @kabeermuzammil614@gmail.com .
amritha123 Edited 2024-05-19

Very useful software for docking.

Reply from MzDOCK - Multiple Ligand Docking Tool

Posted 2024-05-19

Thank You For Valuable Feedback!! We Are Happy That You Found It Useful.
mubeenkabeer Posted 2024-03-01

Best molecular docking app out there by a mile. It is easy to use and super convenient.

Reply from MzDOCK - Multiple Ligand Docking Tool

Posted 2024-03-01

Thank You For Valuable Feedback!! We Are Happy That You Found It Easy To Use .

Additional Project Details

Operating Systems

Linux, Windows

Languages

English, Hindi, Italian

Intended Audience

End Users/Desktop, Science/Research

User Interface

Win32 (MS Windows)

Programming Language

Python

Related Categories

Python Molecular Science Software, Python Simulation Software, Python Bio-Informatics Software

Registered

2024-02-17

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