- interferon and immune responses
- Immune Response and Inflammation
- Scientific Computing and Data Management
- Fault Detection and Control Systems
- Pharmacological Effects and Assays
- Per- and polyfluoroalkyl substances research
- Immune Cell Function and Interaction
- Cytokine Signaling Pathways and Interactions
- NF-κB Signaling Pathways
- Toxic Organic Pollutants Impact
University of Chicago
2023-2024
Stimulation of the innate immune system is crucial in both effective vaccinations and immunotherapies. This often achieved through adjuvants, molecules that usually activate pattern recognition receptors (PRRs) stimulate two signaling pathways: nuclear factor kappa-light-chain-enhancer activated B-cells pathway (NF-κB) interferon regulatory factors (IRF). Here, we demonstrate ability to alter improve adjuvant activity via addition small molecule "immunomodulators". By modulating instead...
The innate immune response is vital for the success of prophylactic vaccines and immunotherapies. Control signaling in pathways can improve by inhibiting unfavorable systemic inflammation immunotherapies enhancing stimulation. In this work, we developed a machine learning-enabled active learning pipeline to guide
Designing organic fluorescent molecules with tailored optical properties is challenging in decades, while the new avenue was opened by statistical models. Inverse design has garnered considerable interest materials science but concentrates on arbitrary or theoretical properties. Here, we introduce a strategy that enables direct optimization of specific experimental inverse process, utilizing variational autoencoder (VAE) latent vector-based prediction model. Omitting Kullback-Leibler...
Designing organic fluorescent molecules with tailored optical properties is challenging in decades, while the new avenue was opened by statistical models. Inverse design has garnered considerable interest materials science but concentrates on arbitrary or theoretical properties. Here, we introduce a strategy that enables direct optimization of specific experimental inverse process, utilizing variational autoencoder (VAE) latent vector-based prediction model. Omitting Kullback-Leibler...
Approaches to tackle the wide and growing variety of highly persistent per- polyfluoroalkyl substances (PFAS) are pressing global need because their detrimental human health effects, such as cancer, birth defects, hormone imbalance. Sensitive, selective, easy-to-use real-time sensors monitor detect PFAS sorbents extract them critical meeting government-mandated environmental concentrations. In this work, we combine all-atom molecular dynamics simulations, enhanced sampling, deep...
Abstract The innate immune response is vital for the success of prophylactic vaccines and immunotherapies. Control signaling in pathways can improve by inhibiting unfavorable systemic inflammation immunotherapies enhancing stimulation. In this work, we developed a machine learning-enabled active learning pipeline to guide vitro experimental screening discovery small molecule immunomodulators that responses altering activity stimulated traditional pattern recognition receptor agonists....