title: Internal dynamics of proteins. Short time and long time motions of aromatic sidechains in PTI.
abstract: Theoretical approaches to the internal dynamics of proteins are outlined and illustrated by application to the aromatic sidechain motions of tyrosines in the bovine pancreatic trypsin inhibitor. High frequency torsional oscillations are obtained from a molecular dynamics simulation, while the longer time ring rotations are analyzed by use of adiabatic energy minimization and special transition-state trajectory techniques.
mesh_terms: D000818:Animals; D002151:Calorimetry; D002417:Cattle; D011487:Protein Conformation; D013816:Thermodynamics; D014359:Trypsin Inhibitor, Kazal Pancreatic; D014361:Trypsin Inhibitors; D014443:Tyrosine / Q000032:analysis*; D014961:X-Ray Diffraction
chemical_list: D014361:Trypsin Inhibitors; D014443:Tyrosine; D014359:Trypsin Inhibitor, Kazal Pancreatic