Molecular modeling : basic principles and applications /

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Bibliographic Details
Other Authors: Höltje, Hans-Dieter
Format: Printed Book
Language:English
Published: Weinheim : Wiley-VCH, c2008.
Edition:3rd, rev. and expanded ed.
Subjects:
Biomolecules > Structure > Computer simulation.
Drugs > Design > Computer simulation.
Ligand binding (Biochemistry) > Computer simulation.
Molecules > Models > Computer simulation.
Proteins > Structure > Computer simulation.
Table of Contents:
  • Introduction
  • Small molecules
  • A case study for small molecule modeling: dopamine D₃, receptor antagonists
  • Introduction to comparative protein modeling
  • Virtual screening and docking
  • Scope and limits of molecular docking
  • Chemogenomic approaches to rational drug design
  • A case study for protein modeling: the nuclear hormone receptor CAR as an example for comparative modeling and the analysis of protein-ligand complexes.

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