2 papers
cs.CE2025
Projecting Molecules into Synthesizable Chemical Spaces
Shitong Luo, Wenhao Gao, Zuofan Wu +3
Discovering new drug molecules is a pivotal yet challenging process due to the near-infinitely large chemical space and notorious demands on time and resources. Numerous generative…
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…