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Tumor antigens are key targets in cancer immunotherapies that can be recognized by T cell receptor and induce immune responses. However, precision screening of immunogenic tumor antigens remains a great challenge due to human leukocyte antigen (HLA) restriction and tumor antigen escape. Here, we introduce MultiTAP (Multi-modal Tumor Antigen Predict...
Proteolysis-targeting chimera (PROTAC) is an emerging therapeutic technology that leverages the ubiquitin-proteasome system to target protein degradation. Due to its event-driven mechanistic characteristics, PROTAC has the potential to regulate traditionally non-druggable targets. Recently, AI-aided drug design has accelerated the development of PR...
We propose AMP-Designer, an LLM-based foundation model approach for the rapid design of novel antimicrobial peptides (AMPs) with multiple desired properties. Within 11 days, AMP-Designer enables de novo design of 18 novel candidates with broad-spectrum potency against Gram-negative bacteria. Subsequent in vitro validation experiments demonstrate th...
The mechanism of transcriptional activation/repression of the nuclear receptors (NRs) involves two main conformations of the NR protein, namely, the active (agonistic) and inactive (antagonistic) conformations. Binding of agonists or antagonists to the ligand-binding pocket (LBP) of NRs can regulate the downstream signaling pathways with different...