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Updated: Sep 11, 2025

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使用随机森林模型和GaMD研究炼金术自由能量预测中的错误

Skanda Sastry1, Michael Tae-Jong Kim1

  • 1Protein Analytical Chemistry Department, Genentech Inc, South San Francisco, California 94080, United States.

Journal of chemical information and modeling
|August 12, 2025
PubMed
概括

对抗体-抗原结合的翻译后修饰 (PTM) 影响的精确的in silico预测对于药物开发至关重要. 这项研究提高了预测准确度,减少了错误,以改善治疗生物活性的临床评估.

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