3D full atom models of A501X variants of the penicillin-binding protein 2 with ceftriaxone
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https://zenodo.org/record/12786162
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资源简介：
The archives containPDB structures.
b3-b4-loop-representative-states.7z -- representative states obtained in MD trajectories of A501X variants of the PBP2
The rest archves, A501X.7z contain representative frames from QM/MM MD trajectories in the stationary point regions (ES, TS1, I1, TS2, EP). Both QM part only and full-atom rectangular periodic systems are presented.
创建时间：
2024-07-19
