24 citations · 31 across the 8 of their papers we have counts for
8 papers
MoleCode unlocks structural intelligence in large language models
Zhiyuan Yan, Chen Liu, Boxuan Zhao +8
Molecules are graphs, but large language models~(LLMs) are usually asked to reason about them through linear strings. The most popular molecular representation, SMILES, compresses…
End-to-End Reverse Screening Identifies Protein Targets of Small Molecules Using HelixFold3
Shengjie Xu, Xianbin Ye, Mengran Zhu +3
Identifying protein targets for small molecules, or reverse screening, is essential for understanding drug action, guiding compound repurposing, predicting off-target effects, and…
HelixVS: Deep Learning-Enhanced Structure-Based Platform for Screening and Design
Shanzhuo Zhang, Xianbin Ye, Donglong He +3
Drug discovery through virtual screening (VS) has become a popular strategy for identifying hits against protein targets. Alongside VS, molecular design further expands accessible…
HelixDesign-Antibody: A Scalable Production-Grade Platform for Antibody Design Built on HelixFold3
Jie Gao, Jing Hu, Shanzhuo Zhang +5
Antibody engineering is essential for developing therapeutics and advancing biomedical research. Traditional discovery methods often rely on time-consuming and resource-intensive e…
Reshaping Biomolecular Structure Prediction through Strategic Conformational Exploration with HelixFold-S1
Lihang Liu, Yang Liu, Xianbin Ye +6
Generating large ensembles of candidate conformations is standard for improving biomolecular structure prediction. Yet aimless sampling is inefficient and costly, producing many re…
HelixDesign-Binder: A Scalable Production-Grade Platform for Binder Design Built on HelixFold3
Jie Gao, Jun Li, Jing Hu +5
Protein binder design is central to therapeutics, diagnostics, and synthetic biology, yet practical deployment remains challenging due to fragmented workflows, high computational c…
Technical Report of HelixFold3 for Biomolecular Structure Prediction
Lihang Liu, Shanzhuo Zhang, Yang Xue +10
The AlphaFold series has transformed protein structure prediction with remarkable accuracy, often matching experimental methods. AlphaFold2, AlphaFold-Multimer, and the latest Alph…
Pre-Training on Large-Scale Generated Docking Conformations with HelixDock to Unlock the Potential of Protein-ligand Structure Prediction Models
Lihang Liu, Shanzhuo Zhang, Donglong He +12
Protein-ligand structure prediction is an essential task in drug discovery, predicting the binding interactions between small molecules (ligands) and target proteins (receptors). R…