In the occasion of the EuroQSAR– Understanding Chemical-Biological Interactions Symposium, Wiley presents a Virtual Issue dedicated to breakthroughs in computer-aided drug design & discovery.
The articles, from Wiley’s journal portfolio in computational chemistry and biology, are available free to read for a limited time.
Computer-aided Drug Design & Discovery Virtual Issue
Method Development
Reviews
- Drug-Like Protein-Protein Interaction Modulators: Challenges and Opportunities for Drug Discovery and Chemical Biology,
Bruno O. Villoutreix, Melaine A. Kuenemann, Jean-Luc Poyet, Heriberto Bruzzoni-Giovanelli, Céline Labbé, David Lagorce, Olivier Sperandio, Maria A. Miteva
,
Mol. Inf. 2014, 33, 414.
DOI: 10.1002/minf.201400040
- Quantum mechanical approaches to structurally informed design
,
José S. Duca and Jason B. Cross
Int. J. Quantum Chem. 2014, 114, 305.
DOI: 10.1002/qua.24561/abstract
- A Short Review of Chemical Reaction Database Systems, Computer-Aided Synthesis Design, Reaction Prediction and Synthetic Feasibility,
Wendy A. Warr,
Mol. Inf. 2014, 33, 469.
DOI: 10.1002/minf.201400052
Method Overviews
- Machine learning methods in chemoinformatics,
John B. O. Mitchell,
WIREs Comput. Mol. Sci. 2014.
DOI: 10.1002/wcms.1183
- Modern 2D QSAR for drug discovery,
Richard A. Lewis, David Wood,
WIREs Comput. Mol. Sci. 2014.
DOI: 10.1002/wcms.1187
- Chemoinformatics applications of cluster analysis,
John David MacCuish, Norah Elizabeth MacCuish
WIREs Comput. Mol. Sci. 2014, 4, 34–48.
DOI: 10.1002/wcms.1152
- Protein–ligand interaction databases: advanced tools to mine activity data and interactions on a structural level,
Therese Inhester, Matthias Rarey,
WIREs Comput. Mol. Sci. 2014.
DOI: 10.1002/wcms.1192
Historical Overviews
Model Development/Application
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