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Quantitative Structure-Activity Relationship, Activity Prediction, and Molecular Dynamics of Non-nucleotide Reverse Transcriptase Inhibitors
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将分子动力学与贝叶斯分析结合起来,以预测和评估流感血凝素中的联结突变

Peter M Kasson1, Daniel L Ensign, Vijay S Pande

  • 1Department of Chemistry, Stanford University, Stanford, California 94305, USA.

Journal of the American Chemical Society
|July 30, 2009
PubMed
概括

预测流感病毒突变是流行病监测的关键. 分子动力学模拟可以识别影响血凝素的突变.

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