Inference of cell-cell communication from single-cell RNAseq data

A script able to extract ligands from pdb structure(s) and remove them from the original structure. The ligands are identified according to the *valid* ligands found in the binding MOAD database. The ligand can be extracted as a pdb or as a xyz (coordinate) file. Other options such as converting the queried pdb to pqr are available .

Library for calculating exact ligand cone angles

Multi-step pipeline that provides tools for filtering ChEMBL protein target using both physical and chemical features. This project was created in terms of my masters thesis which can be read here: https://www.overleaf.com/read/kwmnwnrwkntb

Easy to use analysis of six-membered ring in ligands present in prtoein complexes.