4 papers
A-CODE: Fully Atomic Protein Co-Design with Unified Multimodal Diffusion
Chaoran Cheng, Jiaqi Guan, Milong Ren +5
We present A-CODE, a fully atomic unified one-stage protein co-design model that simultaneously refines discrete atom types and continuous atom coordinates. Unlike predominant two-…
h-MINT: Modeling Pocket-Ligand Binding with Hierarchical Molecular Interaction Network
Yanru Qu, Yijie Zhang, Wenjuan Tan +6
Accurate molecular representations are critical for drug discovery, and a central challenge lies in capturing the chemical environment of molecular fragments, as key interactions,…
Improving Protein Sequence Design through Designability Preference Optimization
Fanglei Xue, Andrew Kubaney, Zhichun Guo +4
Protein sequence design methods have demonstrated strong performance in sequence generation for de novo protein design. However, as the training objective was sequence recovery, it…
Hierarchical protein backbone generation with latent and structure diffusion
Jason Yim, Marouane Jaakik, Ge Liu +5
We propose a hierarchical protein backbone generative model that separates coarse and fine-grained details. Our approach called LSD consists of two stages: sampling latents which a…