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in Vorbereitung

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.

INTRODUCTIONOpen access databases and datasets for computer-aided drug design: A short list used in the Molecular Modelling Group of the SIBPART 1: SMALL MOLECULESPubChem: A Large-Scale Public Chemical Database for Drug DiscoveryDrugBank Online: A How-to GuideBioisosteric replacement for drug discovery supported by the SwissBioisostere databasePART 2: MOLECULAR TARGETSThe Protein Data Bank (PDB) and macromolecular structure data supporting computer-aided drug designThe SWISS-MODEL repository of 3D protein structures and modelsPDB-REDO in computational aided drug design (CADD)Pharos & TRCD: Informatics tools for illuminating dark targetsPART 3: USER'S POINTS OF VIEWMining for bioactive molecules in open databasesOpen access databases - an industrial view
ISBN 9783527348398
Artikelnummer 9783527348398
Medientyp Buch
Copyrightjahr 2023
Verlag Wiley-VCH
Umfang 352 Seiten
Abbildungen 50 SW-Abb., 75 Farbabb., 50 Tabellen
Sprache Englisch