Journal of computer-aided molecular design
Dec 29, 2025
Cancer immune evasion is predominantly mediated through immune checkpoint pathways, such as the PD-1/PD-L1 axis. In this mechanism, PD-L1, which is often overexpressed on tumor cells, binds to PD-1 receptors on T cells, resulting in the inhibition of...
Immune checkpoint inhibitors have partially improved treatment outcomes for patients with head and neck squamous cell carcinoma (HNSCC), but the response rate remains low, with only a few patients benefiting. Mechanistically, HNSCC tumor cells often ...
Journal of computer-aided molecular design
Nov 4, 2025
Evolution has optimized proteins over time by the incorporation of precise and context-specific amino acid substitutions adapted to structural and functional demands. We have reconceptualized this principle using deep learning to engineer monoclonal ...
BACKGROUND: Checkpoint inhibitor pneumonitis (CIP) is among the most lethal immune-related adverse events in patients with cancer receiving immunotherapy. This study aims to characterize the lung microbiome in patients with CIP and evaluate its diagn...
Cell-to-cell communication through ligand-receptor (LR) interactions can fundamentally shape the tumor microenvironment and immune responses, but the full spectrum of these interactions in anti-PD-1 therapy remains unexplored. We developed a predicti...
BACKGROUND: Microsatellite stability (MSS) colorectal cancers (CRCs) have a limited response to immune checkpoint inhibitors (ICIs) compared to microsatellite instability-high (MSI-H) CRCs. Nevertheless, previous studies have shown that some MSS CRCs...
BACKGROUND: Gut microbiota (GM) predict responses to immune checkpoint inhibitors (ICIs) in patients with advanced lung cancer. However, its role in patients with locally advanced lung cancer undergoing chemoradiotherapy (CRT) combined with consolida...
Cancer cells express high levels of programmed cell death-ligand 1 (PD-L1) to evade immune surveillance. PD-L1 interacts with PD-1 on T cells to make them non-functional. Thus, PD-L1 and PD-1 are pivotal targets in cancer immunotherapy. While anti-PD...
Immunotherapy has emerged as a promising treatment option for triple-negative breast cancer (TNBC); however, the pronounced heterogeneity of the tumor immune microenvironment significantly hinders the prediction of therapeutic efficacy, with effectiv...
Melanoma immunotherapy urgently requires approaches that can accurately predict drug responses to minimize unnecessary treatments. Deep learning models have emerged as powerful tools in this domain due to their robust predictive capabilities. Integra...
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