Biomolecular simulations in structure-based drug discovery

種類:

電子ブック

責任表示:

edited by Francesco L. Gervasio and Vojtech Spiwok

出版情報:

2019

著者名:

• Gervasio, Francesco L.
• Spiwok, Vojtech

シリーズ名:

Methods and principles in medicinal chemistry ; volume 75

ISBN:

9783527806843 [3527806849]    
9783527806850 [3527806857]    
9783527806836 [3527806830]    

注記:

Online resource; title from PDF title page (EBSCO, viewed December 19, 2018)
A timely and topical survey of modern simulation tools and their applications in real-life drug discovery, allowing for better and quicker results in structure-based drug design.The first part of this practical guide for industry professionals describes common tools used in the biomolecular simulation of drugs and their targets. A critical analysis of the accuracy of the predictions, the integration of modeling with other experimental data combined with numerous case studies from different therapeutic fields enable users to quickly adopt these new methods for their current projects. The second part then shows how these tools can be applied to drug discovery and development projects. Modeling experts from the pharmaceutical industry and from leading academic institutions present real-life examples for important target classes such as GPCRs, kinases and amyloids as well as for common challenges in structure-based drug discovery.With its inclusion of novel methods and strategies for the modeling of drug-target i

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