2 papers
q-bio.BM2025
Group Ligands Docking to Protein Pockets
Jiaqi Guan, Jiahan Li, Xiangxin Zhou +5
Molecular docking is a key task in computational biology that has attracted increasing interest from the machine learning community. While existing methods have achieved success, t…
q-bio.QM2024
FAFE: Immune Complex Modeling with Geodesic Distance Loss on Noisy Group Frames
Ruidong Wu, Ruihan Guo, Rui Wang +7
Despite the striking success of general protein folding models such as AlphaFold2(AF2, Jumper et al. (2021)), the accurate computational modeling of antibody-antigen complexes rema…