SEABED: Small molEcule activity scanner weB servicE baseD.

TitleSEABED: Small molEcule activity scanner weB servicE baseD.
Publication TypeJournal Article
Year of Publication2015
AuthorsFenollosa, Carlos, Otón Marcel, Andrio Pau, Cortés Jorge, Orozco Modesto, and J Goñi Ramon
JournalBioinformatics
Volume31
Pagination773-5
Date Published2015 Mar 1
ISSN1367-4811
KeywordsDatabases, Drug Design, Drug Discovery, Factual, Humans, Molecular Docking Simulation, Mutation, Peptide Library, Protein Structure, Proteins, Quantitative Structure-Activity Relationship, Small Molecule Libraries, Software, Tertiary, Workflow
Abstract

The SEABED web server integrates a variety of docking and QSAR techniques in a user-friendly environment. SEABED goes beyond the basic docking and QSAR web tools and implements extended functionalities like receptor preparation, library editing, flexible ensemble docking, hybrid docking/QSAR experiments or virtual screening on protein mutants. SEABED is not a monolithic workflow tool but Software as a Service platform.

AVAILABILITY AND IMPLEMENTATION: SEABED is a free web server available at http://www.bsc.es/SEABED.

DOI10.1093/bioinformatics/btu709