NERDD: a web portal providing access to in silico tools for drug discovery

Conrad Stork; Gerd Embruch; Martin Šícho; Christina de Bruyn Kops; Ya Chen; Daniel Svozil; Johannes Kirchmair

doi:10.1093/bioinformatics/btz695

NERDD: a web portal providing access to in silico tools for drug discovery

Bioinformatics. 2020 Feb 15;36(4):1291-1292. doi: 10.1093/bioinformatics/btz695.

Authors

Conrad Stork¹, Gerd Embruch¹, Martin Šícho², Christina de Bruyn Kops¹, Ya Chen¹, Daniel Svozil², Johannes Kirchmair^{1

3

4}

Affiliations

¹ Department of Informatics, Universität Hamburg, Faculty of Mathematics, Informatics and Natural Sciences, Center for Bioinformatics (ZBH), Hamburg 20146, Germany.
² Department of Informatics and Chemistry, CZ-OPENSCREEN: National Infrastructure for Chemical Biology, University of Chemistry and Technology Prague, Faculty of Chemical Technology, 166 28 Prague 6, Czech Republic.
³ Department of Chemistry, University of Bergen, Bergen N-5020, Norway.
⁴ Computational Biology Unit (CBU), Bergen N-5020, Norway.

PMID: 32077475
DOI: 10.1093/bioinformatics/btz695

Abstract

Summary: The New E-Resource for Drug Discovery (NERDD) is a quickly expanding web portal focused on the provision of peer-reviewed in silico tools for drug discovery. NERDD currently hosts tools for predicting the sites of metabolism (FAME) and metabolites (GLORY) of small organic molecules, for flagging compounds that are likely to interfere with biological assays (Hit Dexter), and for identifying natural products and natural product derivatives in large compound collections (NP-Scout). Several additional models and components are currently in development.

Availability and implementation: The NERDD web server is available at https://nerdd.zbh.uni-hamburg.de. Most tools are also available as software packages for local installation.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Biological Products*
Computer Simulation
Computers
Drug Discovery*
Internet
Software

Substances

Biological Products