159213-96-4Relevant articles and documents
Generation of ligand conformations in continuum solvent consistent with protein active site topology: Application to thrombin
Greenidge, Paulette A.,Mérette, Sandrine A. M.,Beck, Richard,Dodson, Guy,Goodwin, Christopher A.,Scully, Michael F.,Spencer, John,Weiser, J?rg,Deadman, John J.
, p. 1293 - 1305 (2007/10/03)
Using the crystal structure of an inhibitor complexed with the serine protease thrombin (PDB code 1UVT) and the functional group definitions contained within the Catalyst software, a representation of the enzyme's active site was produced (structure-based