Generative artificial intelligence-enhanced virtual screening: A hybrid strategy for identifying novel ROCK2 inhibitors
1. 文件大小不能超过300M, 允许上传文档或压缩包等
2. 请确保上传文献的真实性、完整性，不得对原文做任何修改
注: 所有应助的资源仅供学习交流使用, 不得违反相关法律法规
DOI:
文献链接:
其他信息:
J Guo, C Fan, Y Liu, T Shen, M Li, M Lin, T Wang…
Chinese Chemical …, 2026
Elsevier
Idiopathic pulmonary fibrosis (IPF), a disease with poor survival, is closely associated with the hyperactivation of Rho-associated protein kinase 2 (ROCK2), making ROCK2 inhibitors a promising therapeutic option. However, classical docking-centric virtual screening for ROCK2 inhibitor discovery faces challenges such as high false positives and limited chemical diversity. To address these limitations, we integrated generative artificial intelligence (AI) and cheminformatics techniques into our virtual screening workflow using …
