In silico drug discovery and design /

The sixteen chapters of this book summarize the current status and recent developments in computer-aided drug-design methodology. The book is organized into four sections, with the first dedicated to current methods for identifying potential hits for target proteins and predicting the binding affini...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Otros Autores: Lill, Markus A. (Editor )
Formato: Electrónico eBook
Idioma:Inglés
Publicado: London, England : Future Science Ltd (Unitec House, 2 Albert Place, London N3 1QB, UK), [2013]
Temas:
Drug development.
Drug Discovery > methods
Médicaments > Développement.
Drug development
Acceso en línea:Texto completo
Tabla de Contenidos:
  • In silico drug discovery and design / Markus A. Lill
  • Molecular docking and structure-based virtual screening / Chenzhong Liao, Megan L. Peach, Risheng Yao & Marc C Nicklaus
  • Computational fragment-based drug design / Gregory Sliwoski & Edward W. Lowe Jr.
  • Comparative modeling and structure prediction : application to drug discovery / Emidio Capriotti
  • Advances in molecular dynamics simulations and free-energy calculations relevant for drug design / Nadine Homeyer & Holger Gohlke
  • Quantum mechanical applications in drug discovery / Michael P. Mazanetz
  • Pharmacophore modeling / Stefan M. Noha & Daniela Schuster
  • QSAR in the new millennium / Vijay M. Khedkar & Evans C. Coutinho
  • Receptor-dependent QSAR methods / Xialan Dong & Weifan Zheng
  • Computational methods based on molecular shape / Elisabet Gregori-Puigjané
  • Machine learning and similarity-based virtual screening techniques / Jürgen Bajorath
  • In silico absorption, distribution, metabolism and excretion / Prashant S. Kharkar
  • Computational models for toxicity prediction / Sandhya Kortagere
  • Computational methods for drug target profiling and polypharmacology / Thierry Langer & Sharon D. Bryant
  • Integrating structure-and ligand-based approaches for computer-aided drug design / Gregory L. Wilson & Markus A. Lill
  • Binding site identification in target proteins / Yi Xiong, Xiaolei Zhu & Daisuke Kihara
  • Index.

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