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

Author

Xuhui Huang

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Open access Aug 2026

Progressive Loosening of a Dual Autoinhibitory Interface Activates PP2A-B56δ

Cryo-EM analysis, enhanced-sampling molecular dynamics simulations, Markov state model construction, and transition-state analysis provide an atomic-level explanation for how the pathogenic E198K mutation allosterically promotes holoenzyme activation.

Michael S O'Connor, Cheng-Guo Wu, Yi-Chong Lao et al. · 0 citations
Open access Aug 2026

A Continuous-Space Analytical Framework for Committor Functions from Molecular Dynamics

This work introduces an analytical framework for computing continuous-space committor functions directly from molecular dynamics trajectories using a Liouville propagator formulated in a basis-function representation that provides a versatile foundation for analyzing dynamics in biomolecular systems and other complex d...

Siqin Cao, Xuhui Huang · 0 citations

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