2 papers
q-bio.BM2025
Towards More Accurate Full-Atom Antibody Co-Design
Jiayang Wu, Xingyi Zhang, Xiangyu Dong +5
Antibody co-design represents a critical frontier in drug development, where accurate prediction of both 1D sequence and 3D structure of complementarity-determining regions (CDRs)…
cs.LG2024
EquiFlow: Equivariant Conditional Flow Matching with Optimal Transport for 3D Molecular Conformation Prediction
Qingwen Tian, Yuxin Xu, Yixuan Yang +4
Molecular 3D conformations play a key role in determining how molecules interact with other molecules or protein surfaces. Recent deep learning advancements have improved conformat…