Abstract：
Molecular docking is used to anticipate the optimal orientation of a particular molecule to a target to form a stable complex. It makes predictions about the 3D structure of any complex based on the binding characteristics of the ligand and the target receptor usually a protein. It is an exceptionally useful tool, which is used as a model to study how ligands attach to proteins. Docking can also be used for studying the interaction of ligands and proteins to analyze inhibitory efficacy. The ligand may also be a protein, making it possible to study interactions between two different proteins using the numerous docking tools available for basic research on protein interactions. The protein-protein docking is a crucial approach to understanding the protein interactions and predicting the structure of protein complexes that have not yet been experimentally determined. Moreover, the protein-protein interactions can predict the function of target proteins and the drug-like properties of molecules. Therefore, protein docking assists in uncovering insights into protein interactions and also aids in a better understanding of molecular pathways/mechanisms. This chapter comprehends the various tools for protein-protein docking (pairwise and multiple), including their methodologies and analysis of output as results.
摘要：
分子对接用于预测特定分子与靶标的最佳取向以形成稳定的复合物。它根据配体和靶受体（通常是蛋白质）的结合特性，对任何复合物的3D结构进行预测。这是一个非常有用的工具，它被用作研究配体如何附着在蛋白质上的模型。对接也可用于研究配体和蛋白质的相互作用以分析抑制功效。配体也可以是蛋白质。使得有可能使用许多对接工具来研究两种不同蛋白质之间的相互作用，这些对接工具可用于蛋白质相互作用的基础研究。蛋白质-蛋白质对接是理解蛋白质相互作用和预测尚未通过实验确定的蛋白质复合物结构的关键方法。此外，蛋白质-蛋白质相互作用可以预测靶蛋白的功能和分子的药物样特性。因此,蛋白质对接有助于揭示蛋白质相互作用的见解，也有助于更好地理解分子途径/机制。本章了解蛋白质-蛋白质对接的各种工具（成对和多个），包括他们的方法和作为结果的产出分析。
