Current developments in protein docking aim at improvement of applicability, accuracy and utility of modeling macromolecular complexes. The challenges include the need for greater emphasis on protein docking to molecules of different types, proper accounting for conformational flexibility upon binding, new promising methodologies based on residue co-evolution and deep learning, affinity prediction, and further development of fully automated docking servers. Importantly, new developments increasingly focus on realistic modeling of protein interactions in vivo, including crowded environment inside a cell, which involves multiple transient encounters, and propagating the system in time. This opinion paper offers the author's perspective on these challenges in structural modeling of protein interactions and the future of protein docking.

中文翻译：

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蛋白质对接的挑战。

蛋白质对接的当前发展旨在提高建模大分子复合物的适用性、准确性和实用性。挑战包括需要更加重视蛋白质与不同类型分子的对接，适当考虑结合时的构象灵活性，基于残基共同进化和深度学习的新方法，亲和力预测以及全自动对接服务器的进一步开发。重要的是，新的发展越来越关注体内蛋白质相互作用的真实建模，包括细胞内拥挤的环境，这涉及多次短暂的相遇，以及及时传播系统。这篇意见论文提供了作者对蛋白质相互作用结构建模中的这些挑战和蛋白质对接的未来的看法。