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Introduction
HIbrahim edited this page Dec 30, 2021
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Welcome to MDPerTool Standalone Software.
MDPerTool is a software tool for energy dissipation-based allosteric pathway investigation via Molecular Dynamics simulations.
The main functionality of the software includes:
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Classical Molecular Dynamics
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Each Residue Energy Calculation from Trajectory (*.xtc or *.dcd)
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Real-time monitoring of the running simulation
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A visualization interface for:
- 3D Directed Shortest path representation on protein
- Source-Target based pair network construction