title: SEABED: Small molEcule activity scanner weB servicE baseD.
abstract: BACKGROUND
  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.
  
  
  METHODS
  SEABED is a free web server available at http://www.bsc.es/SEABED.
authors.affiliation: Department of Life Sciences, Barcelona Supercomputing Center, Barcelona 08034, Spain, Joint BSC-CRG-IRB Program in Computational Biology, Barcelona, Spain, Computational Bioinformatics Node, National Institute of Bioinformatics, Barcelona 08034, Spain, Institute for Research in Biomedicine (IRB Barcelona), Barcelona 08028, Spain, Department of Biochemistry and Molecular Biology, Biology Faculty, University of Barcelona, Barcelona 08028, Spain and Structural Bioinformatics Node, National Institute of Bioinformatics, Barcelona 08028, Spain Department of Life Sciences, Barcelona Supercomputing Center, Barcelona 08034, Spain, Joint BSC-CRG-IRB Program in Computational Biology, Barcelona, Spain, Computational Bioinformatics Node, National Institute of Bioinformatics, Barcelona 08034, Spain, Institute for Research in Biomedicine (IRB Barcelona), Barcelona 08028, Spain, Department of Biochemistry and Molecular Biology, Biology Faculty, University of Barcelona, Barcelona 08028, Spain and Structural Bioinformatics Node, National Institute of Bioinformatics, Barcelona 08028, Spain.
authors.forename: Carlos
authors.initials: C
authors.lastname: Fenollosa
authors.affiliation: Department of Life Sciences, Barcelona Supercomputing Center, Barcelona 08034, Spain, Joint BSC-CRG-IRB Program in Computational Biology, Barcelona, Spain, Computational Bioinformatics Node, National Institute of Bioinformatics, Barcelona 08034, Spain, Institute for Research in Biomedicine (IRB Barcelona), Barcelona 08028, Spain, Department of Biochemistry and Molecular Biology, Biology Faculty, University of Barcelona, Barcelona 08028, Spain and Structural Bioinformatics Node, National Institute of Bioinformatics, Barcelona 08028, Spain Department of Life Sciences, Barcelona Supercomputing Center, Barcelona 08034, Spain, Joint BSC-CRG-IRB Program in Computational Biology, Barcelona, Spain, Computational Bioinformatics Node, National Institute of Bioinformatics, Barcelona 08034, Spain, Institute for Research in Biomedicine (IRB Barcelona), Barcelona 08028, Spain, Department of Biochemistry and Molecular Biology, Biology Faculty, University of Barcelona, Barcelona 08028, Spain and Structural Bioinformatics Node, National Institute of Bioinformatics, Barcelona 08028, Spain.
authors.forename: Marcel
authors.initials: M
authors.lastname: Otón
authors.affiliation: Department of Life Sciences, Barcelona Supercomputing Center, Barcelona 08034, Spain, Joint BSC-CRG-IRB Program in Computational Biology, Barcelona, Spain, Computational Bioinformatics Node, National Institute of Bioinformatics, Barcelona 08034, Spain, Institute for Research in Biomedicine (IRB Barcelona), Barcelona 08028, Spain, Department of Biochemistry and Molecular Biology, Biology Faculty, University of Barcelona, Barcelona 08028, Spain and Structural Bioinformatics Node, National Institute of Bioinformatics, Barcelona 08028, Spain Department of Life Sciences, Barcelona Supercomputing Center, Barcelona 08034, Spain, Joint BSC-CRG-IRB Program in Computational Biology, Barcelona, Spain, Computational Bioinformatics Node, National Institute of Bioinformatics, Barcelona 08034, Spain, Institute for Research in Biomedicine (IRB Barcelona), Barcelona 08028, Spain, Department of Biochemistry and Molecular Biology, Biology Faculty, University of Barcelona, Barcelona 08028, Spain and Structural Bioinformatics Node, National Institute of Bioinformatics, Barcelona 08028, Spain Department of Life Sciences, Barcelona Supercomputing Center, Barcelona 08034, Spain, Joint BSC-CRG-IRB Program in Computational Biology, Barcelona, Spain, Computational Bioinformatics Node, National Institute of Bioinformatics, Barcelona 08034, Spain, Institute for Research in Biomedicine (IRB Barcelona), Barcelona 08028, Spain, Department of Biochemistry and Molecular Biology, Biology Faculty, University of Barcelona, Barcelona 08028, Spain and Structural Bioinformatics Node, National Institute of Bioinformatics, Barcelona 08028, Spain.
authors.forename: Pau
authors.initials: P
authors.lastname: Andrio
authors.affiliation: Department of Life Sciences, Barcelona Supercomputing Center, Barcelona 08034, Spain, Joint BSC-CRG-IRB Program in Computational Biology, Barcelona, Spain, Computational Bioinformatics Node, National Institute of Bioinformatics, Barcelona 08034, Spain, Institute for Research in Biomedicine (IRB Barcelona), Barcelona 08028, Spain, Department of Biochemistry and Molecular Biology, Biology Faculty, University of Barcelona, Barcelona 08028, Spain and Structural Bioinformatics Node, National Institute of Bioinformatics, Barcelona 08028, Spain Department of Life Sciences, Barcelona Supercomputing Center, Barcelona 08034, Spain, Joint BSC-CRG-IRB Program in Computational Biology, Barcelona, Spain, Computational Bioinformatics Node, National Institute of Bioinformatics, Barcelona 08034, Spain, Institute for Research in Biomedicine (IRB Barcelona), Barcelona 08028, Spain, Department of Biochemistry and Molecular Biology, Biology Faculty, University of Barcelona, Barcelona 08028, Spain and Structural Bioinformatics Node, National Institute of Bioinformatics, Barcelona 08028, Spain.
authors.forename: Jorge
authors.initials: J
authors.lastname: Cortés
authors.affiliation: Department of Life Sciences, Barcelona Supercomputing Center, Barcelona 08034, Spain, Joint BSC-CRG-IRB Program in Computational Biology, Barcelona, Spain, Computational Bioinformatics Node, National Institute of Bioinformatics, Barcelona 08034, Spain, Institute for Research in Biomedicine (IRB Barcelona), Barcelona 08028, Spain, Department of Biochemistry and Molecular Biology, Biology Faculty, University of Barcelona, Barcelona 08028, Spain and Structural Bioinformatics Node, National Institute of Bioinformatics, Barcelona 08028, Spain Department of Life Sciences, Barcelona Supercomputing Center, Barcelona 08034, Spain, Joint BSC-CRG-IRB Program in Computational Biology, Barcelona, Spain, Computational Bioinformatics Node, National Institute of Bioinformatics, Barcelona 08034, Spain, Institute for Research in Biomedicine (IRB Barcelona), Barcelona 08028, Spain, Department of Biochemistry and Molecular Biology, Biology Faculty, University of Barcelona, Barcelona 08028, Spain and Structural Bioinformatics Node, National Institute of Bioinformatics, Barcelona 08028, Spain Department of Life Sciences, Barcelona Supercomputing Center, Barcelona 08034, Spain, Joint BSC-CRG-IRB Program in Computational Biology, Barcelona, Spain, Computational Bioinformatics Node, National Institute of Bioinformatics, Barcelona 08034, Spain, Institute for Research in Biomedicine (IRB Barcelona), Barcelona 08028, Spain, Department of Biochemistry and Molecular Biology, Biology Faculty, University of Barcelona, Barcelona 08028, Spain and Structural Bioinformatics Node, National Institute of Bioinformatics, Barcelona 08028, Spain Department of Life Sciences, Barcelona Supercomputing Center, Barcelona 08034, Spain, Joint BSC-CRG-IRB Program in Computational Biology, Barcelona, Spain, Computational Bioinformatics Node, National Institute of Bioinformatics, Barcelona 08034, Spain, Institute for Research in Biomedicine (IRB Barcelona), Barcelona 08028, Spain, Department of Biochemistry and Molec
authors.forename: Modesto
authors.initials: M
authors.lastname: Orozco
authors.affiliation: Department of Life Sciences, Barcelona Supercomputing Center, Barcelona 08034, Spain, Joint BSC-CRG-IRB Program in Computational Biology, Barcelona, Spain, Computational Bioinformatics Node, National Institute of Bioinformatics, Barcelona 08034, Spain, Institute for Research in Biomedicine (IRB Barcelona), Barcelona 08028, Spain, Department of Biochemistry and Molecular Biology, Biology Faculty, University of Barcelona, Barcelona 08028, Spain and Structural Bioinformatics Node, National Institute of Bioinformatics, Barcelona 08028, Spain Department of Life Sciences, Barcelona Supercomputing Center, Barcelona 08034, Spain, Joint BSC-CRG-IRB Program in Computational Biology, Barcelona, Spain, Computational Bioinformatics Node, National Institute of Bioinformatics, Barcelona 08034, Spain, Institute for Research in Biomedicine (IRB Barcelona), Barcelona 08028, Spain, Department of Biochemistry and Molecular Biology, Biology Faculty, University of Barcelona, Barcelona 08028, Spain and Structural Bioinformatics Node, National Institute of Bioinformatics, Barcelona 08028, Spain.
authors.forename: J Ramon
authors.initials: JR
authors.lastname: Goñi
mesh_terms: D016208:Databases, Factual; D015195:Drug Design; D055808:Drug Discovery / Q000379:methods*; D006801:Humans; D062105:Molecular Docking Simulation / Q000379:methods*; D009154:Mutation / Q000235:genetics; D019151:Peptide Library; D017434:Protein Structure, Tertiary; D011506:Proteins / Q000737:chemistry / Q000235:genetics / Q000378:metabolism*; D021281:Quantitative Structure-Activity Relationship; D054852:Small Molecule Libraries / Q000737:chemistry / Q000494:pharmacology*; D012984:Software; D057188:Workflow
chemical_list: D019151:Peptide Library; D011506:Proteins; D054852:Small Molecule Libraries