NMR in drug discovery: A practical guide to identification and validation of ligands interacting with biological macromolecules

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• 作者：Alvar D. Gossert ; ^{alvar.gossert@novartis.com} ; Wolfgang Jahnke
• 关键词：Drug discovery ; Validation ; Fragment-based screening ; Protein-ligand Interactions
• 刊名：Progress in Nuclear Magnetic Resonance Spectroscopy
• 出版年：2016
• 出版时间：November 2016
• 年：2016
• 卷：97
• 期：Complete
• 页码：82-125
• 全文大小：4047 K
• 卷排序：97

文摘

Theoretical aspects of protein-ligand interactions and their consequences for NMR. Practical guidance for setting up NMR experiments, including common pitfalls and necessary controls. In-depth description of experiments, including information content and range of application. Interpretation of data from different drug-discovery experiments. Guidance in how to stringently validate a protein-ligand interaction.