Protein ligand binding simulation in Python
Project description
PyBindingCurve
Binding curve simulation and experimental data fitting for multi component protein-ligand systems
Usage
Installation
Requirements
PyBindingCurve was developed using python 3.7.1, but should work on any Python 3.6 or greater distribution. It does however rely upon the lm_fit library to fit (and critically), return a 95% error band for the fit parameter, achieved by lmfit expanding upon the standard numpy fitting routines.
- Python (>=3.6)
- Matplotlib (2.x)
- Numpy (1.15.x)
- lm_fit (1.0.0)
- mpmath (1.1.0)
Licence
MIT License - see LICENSE
Authors
PyBindingCurve was written by Steven Shave
Please get in contact for custom solutions, integration to existing workflows and training.
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