3 papers
cs.LG2025
ProteinAE: Protein Diffusion Autoencoders for Structure Encoding
Shaoning Li, Le Zhuo, Yusong Wang +5
Developing effective representations of protein structures is essential for advancing protein science, particularly for protein generative modeling. Current approaches often grappl…
cs.LG2024
Improving AlphaFlow for Efficient Protein Ensembles Generation
Shaoning Li, Mingyu Li, Yusong Wang +4
Investigating conformational landscapes of proteins is a crucial way to understand their biological functions and properties. AlphaFlow stands out as a sequence-conditioned generat…
q-bio.QM2024
Flow: Frame-to-Frame Coarse-grained Molecular Dynamics with SE(3) Guided Flow Matching
Shaoning Li, Yusong Wang, Mingyu Li +4
Molecular dynamics (MD) is a crucial technique for simulating biological systems, enabling the exploration of their dynamic nature and fostering an understanding of their functions…