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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

Author

Alvin Yu

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Open access Sep 2026

Voltage-sensor conformational microenvironments encode isoform-selective ion channel activation

Significance Developing drugs that selectively target closely related ion channel isoforms remains a major challenge because these proteins often share highly conserved drug-binding sites. Here, we show that selective activation of Kv7 potassium channel isoforms by the rosemary-derived metabolite carnosic acid (CA) ari...

Rían W. Manville, Lorenzo Foglia, Ryan F. Yoshimura et al. · 0 citations
Preprint Aug 2026

Adaptive Inference and Convergence of Free Energy Landscapes Using Non-parametric Bayesian Enhanced Sampling

Enhanced sampling techniques are central to the study of statistically rare events in the computer modeling and simulation of molecular phenomena. In this work, we report the development and integration of a Gaussian process model, adaptive, uncertainty-driven sampling scheme for enhanced sampling. The framework trains...

D. Kamp, Sinai Lee, R. Phung et al. · 0 citations

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