Open Access Databases and Datasets for Drug Discovery
Open Access Databases and Datasets for Drug Discovery
A comprehensive review of small and large open data sources relevant for rational drug design, covering small molecules, drug targets, ligand design, and many more drug-related aspects.
INTRODUCTION<br>Open access databases and datasets for computer-aided drug design: A short list used in the Molecular Modelling Group of the SIB<br> <br>PART 1: SMALL MOLECULES<br>PubChem: A Large-Scale Public Chemical Database for Drug Discovery<br>DrugBank Online: A How-to Guide<br>Bioisosteric replacement for drug discovery supported by the SwissBioisostere database<br> <br>PART 2: MOLECULAR TARGETS<br>The Protein Data Bank (PDB) and macromolecular structure data supporting computer-aided drug design<br>The SWISS-MODEL repository of 3D protein structures and models<br>PDB-REDO in computational aided drug design (CADD)<br>Pharos & TRCD: Informatics tools for illuminating dark targets<br> <br>PART 3: USER'S POINTS OF VIEW<br>Mining for bioactive molecules in open databases<br>Open access databases - an industrial view<br>
Daina, Antoine
Przewosny, Michael T.
Zoete, Vincent
Mannhold, Raimund
Buschmann, Helmut
Holenz, Jörg
| ISBN | 9783527348398 |
|---|---|
| Artikelnummer | 9783527348398 |
| Medientyp | Buch |
| Auflage | 1. Auflage |
| Copyrightjahr | 2023 |
| Verlag | Wiley-VCH |
| Umfang | 352 Seiten |
| Abbildungen | 50 SW-Abb., 75 Farbabb., 50 Tabellen |
| Sprache | Englisch |
