From In Silico De Novo Generation to In Vitro Functional Validation: Discovery of Multifunctional Antithrombotic Peptides from Food-Derived Proteins via a Hybrid LSTM-GCN and Molecular Simulation Pipeline.
Cardiovascular thromboses bring heavy global health burdens, while traditional screening of food-derived antithrombotic peptides is inefficient. This work built an integrated pipeline integrating de novo peptide generation, hybrid LSTM-GCN deep learning, and molecular simulations, screening 15,000 sequences to obtain l...