3 papers
q-bio.BM2025
EnzyControl: Adding Functional and Substrate-Specific Control for Enzyme Backbone Generation
Chao Song, Zhiyuan Liu, Han Huang +6
Designing enzyme backbones with substrate-specific functionality is a critical challenge in computational protein engineering. Current generative models excel in protein design but…
cs.LG2025
Learning 3D Anisotropic Noise Distributions Improves Molecular Force Field Modeling
Xixian Liu, Rui Jiao, Zhiyuan Liu +6
Coordinate denoising has emerged as a promising method for 3D molecular pretraining due to its theoretical connection to learning molecular force field. However, existing denoising…
cs.LG2025
PRING: Rethinking Protein-Protein Interaction Prediction from Pairs to Graphs
Xinzhe Zheng, Hao Du, Fanding Xu +9
Deep learning-based computational methods have achieved promising results in predicting protein-protein interactions (PPIs). However, existing benchmarks predominantly focus on iso…