3 papers
q-bio.BM2026
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…
q-bio.BM2025
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…
physics.chem-ph2025
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.…