YiFan Deng

Hello, After reading the paper and part of the code (might be difficult for me to understand), I understand that you have a 3d model but not pre-trained, right? If...

Hi PLIP Team, I've been using Python PLIP to detect interactions between a protein and a peptide, and I noticed that it seems to be missing halogen bonds. Upon checking...

Posebuster dataset demo in HelixDock

1

Hi PaddleHelix, During reproducing, I found out the json files related to **posebuster** dataset are actually the same as pdbbind, is that right? Besides, I was also wondering how to...

Separated complex in simulation results

2

Hi, Have you ever encountered a situation in your simulation results where the protein's position remains roughly unchanged, but the ligand jumps from one side to the other (seemingly influenced...

Larger segments as input

1

Hi DiffLinker Team, Thank you for your great effort on this. And I was wondering if the model is possible for sampling linkers for **larger molecules** (like connecting 2 10-mer...