PMID-sentid Pub_year Sent_text comp_official_name comp_offsetprotein_name organism prot_offset 17384076-1 2007 Molecular dynamics simulations followed by quantum mechanical calculation and Molecular Mechanics Poisson-Boltzmann Surface Area (MM-PBSA) analysis have been carried out to study binding of proline- and pyrazinone-based macrocyclic inhibitors (L86 and T76) to human alpha-thrombin. Proline 190-197 coagulation factor II, thrombin Homo sapiens 272-280