1 citations · 1 across the 8 of their papers we have counts for
8 papers
Is Retrieval All You Need? Assessment and Emergence of Novelty in Protein Structure Generation
Tongyue Xu, Yijie Zhang, Mutian He +4
Protein backbone generation models are often credited with exploring novel fold space based solely on low full-chain similarity to known proteins, yet this cannot distinguish a gen…
GeoCycler: Reward-Aligned 3D Diffusion for Constraint-Conditioned Cyclic Peptide Design
Jingjie Zhang, Hanqun Cao, Haosen Shi +10
Cyclic peptides are attractive therapeutic modalities because their closed-ring topology can improve stability and target specificity. However, de novo cyclic peptide design remain…
CA-DEL: An Open Multi-Target, Multi-Modal Benchmark for Learning from DNA-Encoded Library Screens
Mutian He, Hanqun Cao, Cheng Tan +4
The success of machine learning in drug discovery hinges on learning the relationship between a chemical structure and its biological activity. While DNA-Encoded Library (DEL) tech…
Bi-TEAM: A Unified Cross-Scale Representation Learning Framework for Chemically Modified Biomolecules
Chunbin Gu, Zijun Gao, Mutian He +8
Representation learning for protein biochemical space faces a difficult trade-off: protein language models excel at capturing long-range biological semantics but often miss fine-gr…
CONFIDE: Hallucination Assessment for Reliable Biomolecular Structure Prediction and Design
Zijun Gao, Mutian He, Shijia Sun +8
Reliable evaluation of protein structure predictions remains challenging, as metrics like pLDDT capture energetic stability but often miss subtle errors such as atomic clashes or c…
Alleviating Forgetfulness of Linear Attention by Hybrid Sparse Attention and Contextualized Learnable Token Eviction
Mutian He, Philip N. Garner
Linear-attention models that compress the entire input sequence into a fixed-size recurrent state offer an efficient alternative to Transformers, but their finite memory induces fo…
DEL-Ranking: Ranking-Correction Denoising Framework for Elucidating Molecular Affinities in DNA-Encoded Libraries
Hanqun Cao, Mutian He, Ning Ma +3
DNA-encoded library (DEL) screening has revolutionized the detection of protein-ligand interactions through read counts, enabling rapid exploration of vast chemical spaces. However…
Unlocking Potential Binders: Multimodal Pretraining DEL-Fusion for Denoising DNA-Encoded Libraries
Chunbin Gu, Mutian He, Hanqun Cao +3
In the realm of drug discovery, DNA-encoded library (DEL) screening technology has emerged as an efficient method for identifying high-affinity compounds. However, DEL screening fa…