SEABED: Small molEcule activity scanner weB servicE baseD

• DOI: 10.1093/bioinformatics/btu709
• Publication Date: 2014-10-28T04:40:37Z
• Authors: Carlos Fenollosa; Marcel Otón; Pau Andrio; Jorge Cortés; Modesto Orozco; J. Ramon Goñi
• Keywords: 0303 health sciences; Databases, Factual; Proteins; Quantitative Structure-Activity Relationship; Applications Notes; Protein Structure, Tertiary; Workflow; Molecular Docking Simulation; Small Molecule Libraries; 03 medical and health sciences; Peptide Library; Drug Design; Drug Discovery; Mutation; Humans; Software

AbstractMotivation: 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. No registration is required.Contact: [e-mail] information: Supplementary data are available at Bioinformatics online.