发现了针对3CL蛋白质酶的共价化合物,其侧面相互作用突起神经网络

Zhihao Gu1,2, Yong Yan1, Hanwen Liu1

  • 1Department of Medicinal Chemistry, School of Pharmacy, China Pharmaceutical University, Nanjing 210009, China.

概括

研究人员开发了一个深度学习模型,使用横向相互作用尖端神经网络 (LISNN) 来有效选共价药物. 这种方法成功地确定了SARS-CoV-2 3CL Pro的强效抑制剂,证明了其对大规模共价化合物发现的潜力.

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