Open Access Databases and Datasets for Drug Discovery
Edited by Antoine Daina Edited by Michael T. Przewosny Edited by Vincent Zoete Series edited by Raimund Mannhold Series edited by Helmut Buschmann Series edited by Jörg Holenz
Hardback (Published)
(November 2023)
ISBN: 9783527348398
6.69 x 9.61 inches
Price: $207.00
On back order
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
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
- Edited by Antoine Daina
- Edited by Michael T. Przewosny
- Edited by Vincent Zoete
- Series edited by Raimund Mannhold
- Series edited by Helmut Buschmann
- Series edited by Jörg Holenz