2 papers
q-bio.BM2024
Design of Ligand-Binding Proteins with Atomic Flow Matching
Junqi Liu, Shaoning Li, Chence Shi +2
Designing novel proteins that bind to small molecules is a long-standing challenge in computational biology, with applications in developing catalysts, biosensors, and more. Curren…
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…