In this project, I developed a new method for detecting hydrogen-bond (H-bond) interactions in ProLIF (Protein-Ligand Interaction Fingerprints). ProLIF, based on RDKit and MDAnalysis, is a python package to calculate protein-biomolecular interactions for an molecular dynamic trajectory. Before this …

Hello, welcome back. I am reaching the end of my GSoC journey (week 12)! In the last blog post, we validated our methods with PLINDER, which is a protein-ligand dataset. This week, on the other hand, we focused on the protein-protein dataset, PINDER, and checked whether we got the same tendency as …

Hello, welcome to blog post on the week 10 of my GSoC journey! From the last blog post, we completed the development of the implicit H-bond interaction class. However, it is not perfect. Before getting this method merged into the main ProLIF, we have to validate our method using the explicit H-bond …