Computational Biology Program and Department of Molecular Biosciences, The University of Kansas, Lawrence, KS, USA.
Methods Mol Biol. 2024;2714:101-112. doi: 10.1007/978-1-0716-3441-7_5.
Prediction of the structure of protein complexes by docking methods is a well-established research field. The intermolecular energy landscapes in protein-protein interactions can be used to refine docking predictions and to detect macro-characteristics, such as the binding funnel. A new GRAMM web server for protein docking predicts a spectrum of docking poses that characterize the intermolecular energy landscape in protein interaction. A user-friendly interface provides options to choose free or template-based docking, as well as other advanced features, such as clustering of the docking poses, and interactive visualization of the docked models.
通过对接方法预测蛋白质复合物的结构是一个成熟的研究领域。蛋白质-蛋白质相互作用中的分子间能量景观可用于改进对接预测，并检测宏特征，如结合漏斗。用于蛋白质对接的新 GRAMM 网络服务器预测了一系列对接构象，这些构象可描绘蛋白质相互作用中的分子间能量景观。用户友好的界面提供了选择自由对接或基于模板对接的选项，以及其他高级功能，如对接构象的聚类和对接模型的交互式可视化。
