Protein Ligand Interaction Analysis

Acknowledgement

The PL-Docking.py was written and tested by Dr. Sambit K. Mishra following a series of discussion with me at Center for Molecular Biophysics of Oak Ridge National Laboratory.

Reference

If any code is found useful in this repository, please read the research article at https://chemrxiv.org/engage/chemrxiv/article-details/60c75139ee301cbd56c7a9f8 and cite:

Liu, S.-H.; Xiao, Z.; Mishra, S. K.; Mitchell, J. C.; Smith, J. C.; Quarles, L. D.; Petridis, L. Identification of Small-Molecule Inhibitors of FGF23 Signaling via In Silico Hot Spot Prediction and Molecular Docking to alpha-Klotho. ChemRxiv Preprint 2020, DOI: 10.26434/chemrxiv.13083224