Huayin Bao
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Bibliography
2021
Conformational transformation of switch domains in GDP/K-Ras induced by G13 mutants: An investigation through Gaussian accelerated molecular dynamics simulations and principal component analysis.
Comput. Biol. Medicine, 2021
Binding mechanism of inhibitors to p38α MAP kinase deciphered by using multiple replica Gaussian accelerated molecular dynamics and calculations of binding free energies.
Comput. Biol. Medicine, 2021