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Optimized structures for Optical control of ultrafast structural motion in a fluorescent protein

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Zenodo2023-05-02 更新2026-04-07 收录
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QM-MM Optimized structures of the<strong> </strong>hydrogen bonding configuration in states A1, A2 and Transition State (TS) between them for rsKiiro protein on ground (s0) and first excited (s1) states. Structures were optimized at PBE0-D3/cc-pVDZ//Amber03 level.

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2023-05-02
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