Proceedings of the National Academy of Sciences of the United States of America
Jan 8, 2026
Immune cell populations are dysregulated in COVID-19 for currently unknown reasons: Plasmacytoid dendritic cell (pDC) populations are reduced, thus hampering antiviral responses. CD8 T cell populations are reduced, the level of which has emerged as a...
The analysis of molecular interactions between antigens and antibodies is crucial for understanding the immunological mechanisms underlying the immune response and for developing effective therapies against various diseases. In this context, the abil...
A key issue in the post-COVID-19 pandemic era is the ongoing administration of COVID-19 vaccines. Repeated vaccination is essential for preparing against currently circulating and newly emerging severe acute respiratory syndrome coronavirus 2 (SARS-C...
Journal of chemical information and modeling
Aug 28, 2025
Antibody-antigen interaction prediction is essential for therapeutic development but remains experimentally costly. The dynamic conformational changes essential to antibody-antigen binding are often missed by structure-based methods relying on static...
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) continues to accumulate mutations in the spike receptor-binding domain (RBD) region, leading to the emergence of new variants that potentially change the binding affinity for the human angi...
Journal of chemical information and modeling
Aug 10, 2025
Predicting antibody-antigen interactions is a critical step in developing new therapeutics to defend against viral infections. However, measuring the extent of these interactions is costly and time-consuming. With the increased availability of exper...
BACKGROUND AND OBJECTIVES: Although disease-modifying therapies (DMTs) may suppress coronavirus disease 2019 (COVID-19) vaccine responses in people with multiple sclerosis (pwMS), limited data are available on the cumulative effect of additional boos...
Understanding SARS-CoV-2 human protein-protein interactions (PPIs) and the host response to infection is essential for developing effective COVID-19 antivirals. However, how the ancestral virus and its variants remodel virus-host protein assemblies i...
The global pandemic, due to the emergence of COVID-19, has created a public health crisis. It has a huge morbidity rate that was never comprehended in the recent decades. Despite numerous efforts, potent antiviral drugs are lacking. Repurposing of dr...
Developing therapeutic antibodies is a challenging endeavor, often requiring large-scale screening to produce initial binders, that still often require optimization for developability. We present a computational pipeline for the discovery and design ...
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