10 citations · 21 across the 11 of their papers we have counts for
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q-bio.BM2026
Multi-Scale Temporal Flows for Peptide Trajectory Generation
Xichen Sun, Wentao Wei, Xiaoxi Zhang +2
Peptides occupy a particularly challenging regime of biomolecular dynamics. Short peptides lack a stable folded core and populate broad conformational ensembles, while cyclization…
cs.LG2026
BindCLIP: A Unified Contrastive-Generative Representation Learning Framework for Virtual Screening
Anjie Qiao, Zhen Wang, Yaliang Li +2
Virtual screening aims to efficiently identify active ligands from massive chemical libraries for a given target pocket. Recent CLIP-style models such as DrugCLIP enable scalable v…
cs.LG2026★ 1 cited
De Novo Molecular Generation from Mass Spectra via Many-Body Enhanced Diffusion
Xichen Sun, Wentao Wei, Jiahua Rao +2
Molecular structure generation from mass spectrometry is fundamental for understanding cellular metabolism and discovering novel compounds. Although tandem mass spectrometry (MS/MS…