7 citations · 12 across the 5 of their papers we have counts for
5 papers
Hotspot-Driven Peptide Design via Multi-Fragment Autoregressive Extension
Jiahan Li, Tong Chen, Shitong Luo +7
Peptides, short chains of amino acids, interact with target proteins, making them a unique class of protein-based therapeutics for treating human diseases. Recently, deep generativ…
Full-Atom Peptide Design based on Multi-modal Flow Matching
Jiahan Li, Chaoran Cheng, Zuofan Wu +5
Peptides, short chains of amino acid residues, play a vital role in numerous biological processes by interacting with other target molecules, offering substantial potential in drug…
Categorical Flow Matching on Statistical Manifolds
Chaoran Cheng, Jiahan Li, Jian Peng +1
We introduce Statistical Flow Matching (SFM), a novel and mathematically rigorous flow-matching framework on the manifold of parameterized probability measures inspired by the resu…
Equivariant Neural Operator Learning with Graphon Convolution
Chaoran Cheng, Jian Peng
We propose a general architecture that combines the coefficient learning scheme with a residual operator layer for learning mappings between continuous functions in the 3D Euclidea…
A 3D Generative Model for Structure-Based Drug Design
Shitong Luo, Jiaqi Guan, Jianzhu Ma +1
We study a fundamental problem in structure-based drug design -- generating molecules that bind to specific protein binding sites. While we have witnessed the great success of deep…