Binding mechanism of inhibitors to p38α MAP kinase deciphered by using multiple replica Gaussian accelerated molecular dynamics and calculations of binding free energies - researchr publication references

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Jianzhong Chen, Wei Wang, Haibo Sun, Laixue Pang, Huayin Bao. Binding mechanism of inhibitors to p38α MAP kinase deciphered by using multiple replica Gaussian accelerated molecular dynamics and calculations of binding free energies. Comp. in Bio. and Med., 134:104485, 2021. [doi]

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