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Designing Fidelity of CRISPR-Cas Endonucleases by Kinetic Insights

Huihui Liu Zhenyu Zhou Luowei Yuan Bin Pang Kun Xi Xinyu Li Wenzhuo Ma Rujuan Ti Jinchu Liu Nuo Chen Yang Xu Jianyu Yang Yiping Yu Yuchen Yang Ruobing Ren A. Warshel Lei Yong Lizhe Zhu
Jul 2026 · bioRxiv · 0 citations · 51 references
Biology

TL;DR

A PLM-assisted physics-driven approach is presented that utilizes atomistic molecular dynamics simulations and automated path searching to efficiently obtain the complete kinetic insights, including the transition state structures, for the conformational changes of Cas before DNA cleavage.

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