Computational drug design : a guide for computational and medicinal chemists

Detalles Bibliográficos
Autor principal: Young, David C., 1964-
Formato: Software Libro
Lenguaje:English
Publicado: Hoboken, N.J. : John Wiley & Sons, c2009.
Materias:
Drogas > Diseño > Modelos matemáticos.
Drogas > Diseño > Procesamiento de datos.
Acceso en línea:http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&doc_number=017629751&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA
Tabla de Contenidos:
  • Introduction
  • Properties that make a molecule a good drug
  • Target identification
  • Target characterization
  • The drug design process for a known protein target
  • The drug design process for an unknown target
  • Drug design for other targets
  • Compound library design
  • Computational tools and techniques
  • Homology model building
  • Molecular mechanics
  • Protein folding
  • Docking
  • Pharmacophore models
  • QSAR
  • 3D-QSAR
  • Quantum mechanics in drug design
  • De Novo and other AI techniques
  • Cheminformatics
  • ADMET
  • Multiobjective optimization
  • Automation of tasks
  • Bioinformatics
  • Simulations at the cellular and organ level
  • Synthesis route prediction
  • Proteomics
  • Prodrug approaches
  • Future developments in drug design.

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