Simulation Data for 'Protein–Solvent Interface Controls Proton-Coupled Reactivity in Cryptochrome 4a'
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资源简介：
Replication data for theoretical studies of proton transfer and proton-coupled electron transfer in European robin cryptochrome 4a. Force field parameters and initial and final coordinates in classical MD simulations, solvent-access analysis files, AMBER/QChem interface files of the QM/MM string simulations, and umbrella sampling simulation data.
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Zenodo创建时间：
2026-05-07
