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Molecular Simulation of avb6 Integrin Inhibitors

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Zenodo2020-08-01 更新2026-05-25 收录
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Molecular dynamics trajectories for the simulation of an RGD mimetic, with a variety of aryl substituents, bound to avb6. DCD and PSF files are provided for five replicas of 10 ns simulation for each ligand derivative. Trajectories for simulations of the pro-domain of TGF-B1 in complex with avb6 are also provided.

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Zenodo
创建时间:
2020-05-30
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