:

Antonio Mirarchi1, Raúl P Peláez1, Guillem Simeon1

  • 1Computational Science Laboratory, Universitat Pompeu Fabra, Barcelona Biomedical Research Park (PRBB), Carrer Dr. Aiguader 88, Barcelona 08003, Spain.

概括

先进的机器学习原子表示全力场 (AMARO) 能够实现更快,更稳定的蛋白质动力学模拟. 这种新的神经网络潜力 (NNP) 降低了探索复杂生物过程的计算成本.

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