10 citations · 22 across the 16 of their papers we have counts for
4 papers · 1 filter
Piloting Structure-Based Drug Design via Modality-Specific Optimal Schedule
Keyue Qiu, Yuxuan Song, Zhehuan Fan +5
Structure-Based Drug Design (SBDD) is crucial for identifying bioactive molecules. Recent deep generative models are faced with challenges in geometric structure modeling. A major…
Steering Protein Family Design through Profile Bayesian Flow
Jingjing Gong, Yu Pei, Siyu Long +7
Protein family design emerges as a promising alternative by combining the advantages of de novo protein design and mutation-based directed evolution.In this paper, we propose Profi…
Empower Structure-Based Molecule Optimization with Gradient Guided Bayesian Flow Networks
Keyue Qiu, Yuxuan Song, Jie Yu +7
Structure-Based molecule optimization (SBMO) aims to optimize molecules with both continuous coordinates and discrete types against protein targets. A promising direction is to exe…
MolCRAFT: Structure-Based Drug Design in Continuous Parameter Space
Yanru Qu, Keyue Qiu, Yuxuan Song +5
Generative models for structure-based drug design (SBDD) have shown promising results in recent years. Existing works mainly focus on how to generate molecules with higher binding…