An Integrated Deep Learning and Molecular Dynamics Simulation-Based Screening Pipeline Identifies Inhibitors of a New Cancer Drug Target TIPE2

• Main Authors: Haiping Zhang (Author), Junxin Li (Author), Konda Mani Saravanan (Author), Hao Wu (Author), Zhichao Wang (Author), Du Wu (Author), Yanjie Wei (Author), Zhen Lu (Author), Youhai H. Chen (Author), Xiaochun Wan (Author), Yi Pan (Author)
• Format: Book
• Published: Frontiers Media S.A., 2021-11-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

The TIPE2 (tumor necrosis factor-alpha-induced protein 8-like 2) protein is a major regulator of cancer and inflammatory diseases. The availability of its sequence and structure, as well as the critical amino acids involved in its ligand binding, provides insights into its function and helps greatly...