VsNsbench:AlphaFold3,

Shu-Kai Gu1,2,3, Chao Shen4, Yu-Wei Yang1

  • 1Faculty of Applied Science, Macao Polytechnic University, Macao, China.

PubMed
概括

通过预测全息结构,AlphaFold3 (AF3) 显示了用于虚拟选 (VS) 的改进的连接体诱导建模. 它的性能取决于连接体亲和力,突出了药物发现的潜力,但需要多状态建模改进.

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