title: PLIM: a protein-ligand interaction modeller.
abstract: A computer program is presented that models the binding of selected chemical groups to a protein surface. The groups are successively incorporated at energetically favourable positions to build up a pharmacophore pattern that may be used as the basis for a database search for possible ligands. The ability to predict known binding points in a trypsin-inhibitor complex is demonstrated, and the results from a run on dihydrofolate reductase are shown to be usable as a pharmacophore pattern for a database search.
authors.affiliation: Symbicom AB, Uppsala, Sweden.
authors.forename: M R
authors.initials: MR
authors.lastname: Harris
authors.forename: M
authors.initials: M
authors.lastname: Kihlen
authors.forename: R P
authors.initials: RP
authors.lastname: Bywater
mesh_terms: D000818:Animals; D001665:Binding Sites; D002417:Cattle; D006860:Hydrogen Bonding; D008024:Ligands; D008958:Models, Molecular; D015335:Molecular Probes; D011485:Protein Binding; D011506:Proteins / Q000737:chemistry* / Q000378:metabolism; D012984:Software; D013762:Tetrahydrofolate Dehydrogenase / Q000737:chemistry / Q000378:metabolism; D014357:Trypsin / Q000737:chemistry / Q000378:metabolism
chemical_list: D008024:Ligands; D015335:Molecular Probes; D011506:Proteins; D013762:Tetrahydrofolate Dehydrogenase; D014357:Trypsin