The first part provides a basic understanding of the factors governing protein-ligand interactions, followed by a comparison of key experimental methods (calorimetry, surface plasmon resonance, NMR) used in generating interaction data. The second half of the book is devoted to insilico methods of modeling and predicting molecular recognition and binding, ranging from first principles-based to approximate ones. Here,
as elsewhere in the book, emphasis is placed on novel approaches and recent improvements to established methods. The final part looks at
unresolved challenges, and the strategies to address them.
With the content relevant for all drug classes and therapeutic fields, this is an inspiring and often-consulted guide to the complexity of
protein-ligand interaction modeling and analysis for both novices and experts.
Avainsanat: calorimetry, surface plasmon resonance, NMR, x-ray crystallography, predicting molecular recognition, predicting molecular binding, protein-ligand interaction modeling, protein-ligand interaction analysis, ligand-target interactions, Drug Discovery & Development, Biochemistry (Chemical Biology), Structural Biology, Drug Discovery & Development, Biochemistry (Chemical Biology), Structural Biology
- Folkers, Gerd
- Gohlke, Holger
- Kubinyi, Hugo
- Mannhold, Raimund
- John Wiley and Sons, Inc.
- Methods and Principles in Medicinal Chemistry
- 359 sivua
- Terveys, kauneus, muoti
- eISBN (ePUB)
- Painetun ISBN