title: BDT: an easy-to-use front-end application for automation of massive docking tasks and complex docking strategies with AutoDock.
abstract: BACKGROUND
  AutoGrid/AutoDock is one of the most popular software packages for docking, but its automation is not trivial for tasks such as (1) the virtual screening of a library of ligands against a set of possible receptors; (2) the use of receptor flexibility and (3) making a blind-docking experiment with the whole receptor surface. This is an obstacle for research teams in the fields of Chemistry and the Life Sciences who are interested in conducting this kind of experiment but do not have enough programming skills. To overcome these limitations, we have designed BDT, an easy-to-use graphic interface for AutoGrid/AutoDock.
  
  
  BACKGROUND
  BDT is available for free, upon request, for non-commercial research.
authors.affiliation: Departament de Bioquímica i Biotecnologia, C/Marcel.lí Domingo, s/n Av. Països Catalans, 26 Campus de Sant Pere Sescelades, Universitat Rovira i Virgili, Tarragona 43007, Catalonia, Spain.
authors.forename: Montserrat
authors.initials: M
authors.lastname: Vaqué
authors.forename: Anna
authors.initials: A
authors.lastname: Arola
authors.forename: Carles
authors.initials: C
authors.lastname: Aliagas
authors.forename: Gerard
authors.initials: G
authors.lastname: Pujadas
mesh_terms: D000465:Algorithms; D001665:Binding Sites; D019295:Computational Biology / Q000379:methods; D003198:Computer Simulation; D008024:Ligands; D008956:Models, Chemical; D008958:Models, Molecular; D046912:Multiprotein Complexes / Q000737:chemistry / Q000648:ultrastructure; D011485:Protein Binding; D011487:Protein Conformation; D025941:Protein Interaction Mapping / Q000379:methods*; D011506:Proteins / Q000737:chemistry* / Q000648:ultrastructure; D020539:Sequence Analysis, Protein / Q000379:methods*; D012984:Software; D014584:User-Computer Interface
chemical_list: D008024:Ligands; D046912:Multiprotein Complexes; D011506:Proteins