104 citations · 213 across the 14 of their papers we have counts for
15 papers
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…
BioScore: A Foundational Scoring Function For Diverse Biomolecular Complexes
Yuchen Zhu, Jihong Chen, Yitong Li +9
Structural assessment of biomolecular complexes is vital for translating molecular models into functional insights, shaping our understanding of biology and aiding drug discovery.…
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…
Precise Antigen-Antibody Structure Predictions Enhance Antibody Development with HelixFold-Multimer
Jie Gao, Jing Hu, Lihang Liu +4
The accurate prediction of antigen-antibody structures is essential for advancing immunology and therapeutic development, as it helps elucidate molecular interactions that underlie…
Joint Design of 5' Untranslated Region and Coding Sequence of mRNA
Yang Liu, Jie Gao, Xiaonan Zhang +1
Messenger RNA (mRNA) vaccines and therapeutics are emerging as powerful tools against a variety of diseases, including infectious diseases and cancer. The design of mRNA molecules,…
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…
Unifying Sequences, Structures, and Descriptions for Any-to-Any Protein Generation with the Large Multimodal Model HelixProtX
Zhiyuan Chen, Tianhao Chen, Chenggang Xie +4
Proteins are fundamental components of biological systems and can be represented through various modalities, including sequences, structures, and textual descriptions. Despite the…
HelixFold-Multimer: Elevating Protein Complex Structure Prediction to New Heights
Xiaomin Fang, Jie Gao, Jing Hu +4
While monomer protein structure prediction tools boast impressive accuracy, the prediction of protein complex structures remains a daunting challenge in the field. This challenge i…
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…
TCR: A Transformer Based Deep Network for Predicting Cancer Drugs Response
Jie Gao, Jing Hu, Wanqing Sun +5
Predicting clinical outcomes to anti-cancer drugs on a personalized basis is challenging in cancer treatment due to the heterogeneity of tumors. Traditional computational efforts h…
HelixFold-Single: MSA-free Protein Structure Prediction by Using Protein Language Model as an Alternative
Xiaomin Fang, Fan Wang, Lihang Liu +7
AI-based protein structure prediction pipelines, such as AlphaFold2, have achieved near-experimental accuracy. These advanced pipelines mainly rely on Multiple Sequence Alignments…
HelixADMET: a robust and endpoint extensible ADMET system incorporating self-supervised knowledge transfer
Shanzhuo Zhang, Zhiyuan Yan, Yueyang Huang +8
Accurate ADMET (an abbreviation for "absorption, distribution, metabolism, excretion, and toxicity") predictions can efficiently screen out undesirable drug candidates in the early…