Guided Diffusion for molecular generation with interaction prompt
Peng Wu, Huabin Du, Yingchao Yan, Tzong-Yi Lee, Chen Bai, Song Wu
This paper introduces InterDiff, a diffusion model guided by atomic interactions to generate molecules with desired ligand-protein interactions, showing improved or comparable binding modes to known drugs.
Briefings in Bioinformatics · Mar 27, 2024Peer-reviewedBioinformatics