pH:

Vinícius Wilian D Cruzeiro1, Gustavo Troiano Feliciano2, Adrian E Roitberg1

  • 1Department of Chemistry , University of Florida , Gainesville , Florida 32611 , United States.

概括

计算分子动力学模拟现在可以同时计算pH和氧化还原变化. 这种增强的方法为生物系统提供了新的洞察力,并通过高效的GPU加速计算来补充实验发现.

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