PyBindingCurve

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

PyBindingCurve

PyBindingCurve is a Python package for simulation, plotting and fitting of experimental parameters to protein-ligand binding systems at equilibrium. In simple terms, the most basic functionality allows simulation of a two species binding to each other as a function of their concentrations and the dissociation constant (KD) between the two species.

PyBindingCurve simulation

Installation

PyBindingCurve may be installed from source present in the GitHub repository https://github.com/stevenshave/pybindingcurve via git pull, or from the Python Package Index (https://pypi.org/project/pybindingcurve/) using the command :

pip install pybindingcurve

Requirements

PyBindingCurve was developed using python 3.7.1 but should work with any Python version 3.6 or greater. The following packages are also required

  • Matplotlib (2.x)
  • Numpy (1.15.x)
  • lm_fit (1.0.0)
  • mpmath (1.1.0)
  • autograd (1.3)

Licence

MIT License

Tutorial

A tutorial and API documentation can be found here

API documentation

API docmentation can be found here