College of Computer Engineering, Jimei University, Xiamen 361021, China.
National Pilot School of Software, Yunnan University, Kunming 650504, China.
J Chem Inf Model. 2024 Apr 22;64(8):2933-2940. doi: 10.1021/acs.jcim.3c02013. Epub 2024 Mar 26.
DeepKa is a deep-learning-based protein p predictor proposed in our previous work. In this study, a web server was developed that enables online protein p prediction driven by DeepKa. The web server provides a user-friendly interface where a single step of entering a valid PDB code or uploading a PDB format file is required to submit a job. Two case studies have been attached in order to explain how p's calculated by the web server could be utilized by users. Finally, combining the web server with post processing as described in case studies, this work suggests a quick workflow of investigating the relationship between protein structure and function that are pH dependent. The web server of DeepKa is freely available at http://www.computbiophys.com/DeepKa/main.
DeepKa 是我们之前工作中提出的一种基于深度学习的蛋白质 pI 预测器。在这项研究中，开发了一个网络服务器，该服务器由 DeepKa 驱动，可实现在线蛋白质 pI 预测。该网络服务器提供了一个用户友好的界面，用户只需输入有效的 PDB 代码或上传 PDB 格式的文件，即可提交作业。为了向用户解释如何使用网络服务器计算的 pI，我们提供了两个案例研究。最后，将网络服务器与案例研究中描述的后处理相结合，这项工作提出了一个快速的工作流程，用于研究与 pH 相关的蛋白质结构和功能之间的关系。DeepKa 的网络服务器可免费在 http://www.computbiophys.com/DeepKa/main 获得。
