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Protein-ligand interaction databases: advanced tools to mine activity data and interactions on a structural level

  • Published:2014-07-21 Issue:6 Volume:4 Page:562-575
  • ISSN:1759-0876
  • Container-title:Wiley Interdisciplinary Reviews: Computational Molecular Science
  • language:en
  • Short-container-title:WIREs Comput Mol Sci

Author:

Inhester Therese1,Rarey Matthias1

Affiliation:

1. Center for Bioinformatics; University of Hamburg; Hamburg Germany

Publisher

Wiley

Subject

Materials Chemistry,Computational Mathematics,Physical and Theoretical Chemistry,Computer Science Applications,Biochemistry

Reference73 articles.

1. The process of structure-based drug design;Anderson;Chem Biol,2003

2. The Challenge of Affinity Prediction: Scoring Functions for Structure-Based Virtual Screening

3. Computational approaches for fragment-based and de novo design;Loving;Curr Top Med Chem,2010

4. Compounds designed to fit a site of known structure in human haemoglobin;Beddell;Br J Pharmacol,1976

5. Structure-based design of enzyme inhibitors and receptor ligands;Kubinyi;Curr Opin Drug Discov Dev,1998
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