使:

Radu A Talmazan1, Haohao Fu2, Mengchen Zhou2

  • 1Laboratoire International Associé Centre National de la Recherche Scientifique et University of Illinois at Urbana-Champaign, Unité Mixte de Recherche no7019, Université de Lorraine, Vandœ uvre-lès-Nancy, Cedex 54506, France.

PubMed
概括

本教程展示了使用自适应偏移力算法计算自由能量变化的方法. 应用包括离子配对,折叠和分子转移,为化学过程提供了洞察力.

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