Universität Hamburg, ZBH - Center for Bioinformatics, Bundesstraße 43, 20146 Hamburg, Germany.
Universität Hamburg, Department of Informatics, Vogt-Kölln-Straße 30, 22527 Hamburg, Germany.
Nucleic Acids Res. 2022 Jul 5;50(W1):W611-W615. doi: 10.1093/nar/gkac305.
Upon the ever-increasing number of publicly available experimentally determined and predicted protein and nucleic acid structures, the demand for easy-to-use tools to investigate these structural models is higher than ever before. The ProteinsPlus web server (https://proteins.plus) comprises a growing collection of molecular modeling tools focusing on protein-ligand interactions. It enables quick access to structural investigations ranging from structure analytics and search methods to molecular docking. It is by now well-established in the community and constantly extended. The server gives easy access not only to experts but also to students and occasional users from the field of life sciences. Here, we describe its recently added new features and tools, beyond them a novel method for on-the-fly molecular docking and a search method for single-residue substitutions in local regions of a protein structure throughout the whole Protein Data Bank. Finally, we provide a glimpse into new avenues for the annotation of AlphaFold structures which are directly accessible via a RESTful service on the ProteinsPlus web server.
随着越来越多的公开可获得的实验确定和预测的蛋白质和核酸结构，对易于使用的工具来研究这些结构模型的需求比以往任何时候都更加迫切。ProteinsPlus 网络服务器（https://proteins.plus）包含了越来越多的分子建模工具，专注于蛋白质-配体相互作用。它可以快速访问结构分析和搜索方法，以及分子对接等结构研究。它在该领域已经得到了广泛的认可，并在不断扩展。该服务器不仅为专家，也为学生和偶尔使用生命科学领域的用户提供了便捷的访问途径。在这里，我们将介绍其最近添加的新功能和工具，以及一种新的即时分子对接方法，以及一种在整个蛋白质数据库中搜索蛋白质结构局部区域单个残基取代的方法。最后，我们提供了一种通过 ProteinsPlus 网络服务器上的 RESTful 服务直接访问 AlphaFold 结构注释的新途径。
