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Protein ligand binding simulation in Python

Project description

PyBindingCurve

Binding curve simulation and experimental data fitting for multi component protein-ligand systems

PyBindingCurve simulation

PyBindingCurve on github

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 (0.9.11)
  • mpmath (1.0.0)

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.

Project details


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