ジャーナル: Biochemistry / 年: 1997 タイトル: Tertiary structure of RBD2 and backbone dynamics of RBD1 and RBD2 of the human U1A protein determined by NMR spectroscopy. 著者: Lu, J. / Hall, K.B.
手法: distance geometry / ソフトェア番号: 1 詳細: DISTANCE GEOMETRY WAS PERFORMED USING 5%-PAIRWISE METRIZATION AND A GAUSSIAN TRIAL DISTRIBUTION FOR THE SELECTION OF DISTANCES USING THE PROGRAM DISTGEOM, A COMPONENT OF THE TINKER MOLECULAR ...詳細: DISTANCE GEOMETRY WAS PERFORMED USING 5%-PAIRWISE METRIZATION AND A GAUSSIAN TRIAL DISTRIBUTION FOR THE SELECTION OF DISTANCES USING THE PROGRAM DISTGEOM, A COMPONENT OF THE TINKER MOLECULAR MODELING PACKAGE. EMBEDDED STRUCTURES WERE REFINED VERSUS A PENALTY FUNCTION BASED SOLELY ON THE EXPERIMENTAL RESTRAINTS AND LOCAL COVALENT GEOMETRY (BOND LENGTHS, ANGLES, CHIRALITY) OBTAINED FROM A EXTENDED MODEL GENERATED BY QUANTA; NO ENERGY-BASED TERMS WERE INCLUDED. DETAILS OF THE CALCULATIONS AND STRUCTURAL STATISTICS ARE GIVEN IN THE JRNL RECORDS ABOVE.
NMRアンサンブル
コンフォーマー選択の基準: LEAST ERROR FUNCTION / 計算したコンフォーマーの数: 40 / 登録したコンフォーマーの数: 20