Bortolato Andrea, Tehan Benjamin G, Smith Robert T, Mason Jonathan S
Heptares Therapeutics Ltd., BioPark, Broadwater Road, Welwyn Garden City, Hertfordshire, AL7 3AX, UK.
Methods Mol Biol. 2018;1705:207-232. doi: 10.1007/978-1-4939-7465-8_10.
The following chapter examines some of the current "state-of-the-art" tools for predicting, scoring, and examining explicit water molecules in proteins and protein/ligand complexes, highlighting some of the ways information can be readily examined in a manner that is useful in a drug discovery process.
以下章节将探讨一些当前用于预测、评分和检测蛋白质及蛋白质/配体复合物中明确水分子的“前沿”工具,重点介绍一些能以对药物发现过程有用的方式轻松检测信息的方法。