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
INTRODUCTION
Open access databases and datasets for computer-aided drug design: A short list used in the Molecular Modelling Group of the SIB
PART 1: SMALL MOLECULES
PubChem: A Large-Scale Public Chemical Database for Drug Discovery
DrugBank Online: A How-to Guide
Bioisosteric replacement for drug discovery supported by the SwissBioisostere database
PART 2: MOLECULAR TARGETS
The Protein Data Bank (PDB) and macromolecular structure data supporting computer-aided drug design
The SWISS-MODEL repository of 3D protein structures and models
PDB-REDO in computational aided drug design (CADD)
Pharos & TRCD: Informatics tools for illuminating dark targets
PART 3: USER'S POINTS OF VIEW
Mining for bioactive molecules in open databases
Open access databases - an industrial view
Daina, Antoine
Przewosny, Michael T.
Zoete, Vincent
Mannhold, Raimund
Buschmann, Helmut
Holenz, Jörg
| ISBN | 9783527348398 |
|---|---|
| Article number | 9783527348398 |
| Media type | Book |
| Edition number | 1. Auflage |
| Copyright year | 2023 |
| Publisher | Wiley-VCH |
| Length | 352 pages |
| Illustrations | 50 SW-Abb., 75 Farbabb., 50 Tabellen |
| Language | English |
