Abstract：
Protein-ligand blind docking is a widely used method for studying the binding sites and poses of ligands and receptors in pharmaceutical and biological research. Recently, our new blind docking server named CB-Dock2 has been released and is currently being utilized by researchers worldwide. CB-Dock2 outperforms state-of-the-art methods due to its accuracy in binding site identification and binding pose prediction, which are enabled by its knowledge-based docking engine. This highly automated server offers interactive and intuitive input and output web interfaces, making it an efficient and user-friendly tool for the bioinformatics and cheminformatics communities. This chapter provides a brief overview of the methods, followed by a detailed guide on using the CB-Dock2 server. Additionally, we present a case study that evaluates the performance of protein-ligand blind docking using this tool.
摘要：
蛋白质-配体盲对接是在药物和生物学研究中广泛使用的用于研究配体和受体的结合位点和位姿的方法。最近,我们名为CB-Dock2的新型盲对接服务器已经发布，目前正在被世界各地的研究人员使用。CB-Dock2优于最先进的方法，因为它在结合位点识别和结合姿态预测方面具有准确性，由其基于知识的对接引擎启用。这种高度自动化的服务器提供交互式和直观的输入和输出Web界面，使其成为生物信息学和化学信息学社区的高效和用户友好的工具。本章简要概述了这些方法，其次是使用CB-Dock2服务器的详细指南。此外,我们提供了一个案例研究，评估使用该工具的蛋白质-配体盲对接的性能。
