Discovery of selective HDAC6 inhibitors driven by artificial intelligence and molecular dynamics simulation approaches

作者：Xingang Liu, Hao Yang, Xinyu Liu, Minjie Mou, Jie Liu, Wenying Yan, Tianle Niu, Ziyang Zhang, He Shi, Xiangdong Su, Xuedong Li, Yang Zhang, Qingzhong Jia · 发表于：Journal of Pharmaceutical Analysis · 年份：2025 · DOI：10.1016/j.jpha.2025.101338 · 被引用次数：3 · 研究领域：Histone Deacetylase Inhibitors Research、Computational Drug Discovery Methods、Chemical Synthesis and Analysis

)-one scaffold.