手法: TORSION-ANGLE MOLECULAR DYNAMICS / ソフトェア番号: 1 詳細: THE STRUCTURES OF THE MURINE MACROPHAGE INFLAMMATORY PROTEIN-2 (MIP-2) WERE GENERATED USING TORSION-ANGLE MOLECULAR DYNAMICS APPROACH (STEIN, E.G., RICE, L.M., & BRUNGER, A.T. (1997) J. MAGN. ...詳細: THE STRUCTURES OF THE MURINE MACROPHAGE INFLAMMATORY PROTEIN-2 (MIP-2) WERE GENERATED USING TORSION-ANGLE MOLECULAR DYNAMICS APPROACH (STEIN, E.G., RICE, L.M., & BRUNGER, A.T. (1997) J. MAGN. RESON. 124, 154-164) AND X-PLOR 3.851 (ONLINE)(BRUNGER, A.T. (1992) X-PLOR (VERSION 3.1) MANUAL, YALE UNIVERSITY PRESS) BASED ON A TOTAL OF 2740 EXPERIMENTAL RESTRAINTS, COMPRISING 2596 NOE-DERIVED DISTANCE RESTRAINTS, 44 DISTANCE RESTRAINTS FOR 22 HYDROGEN BONDS, AND 100 TORSION ANGLE RESTRAINTS DERIVED FROM NOE AND COUPLING CONSTANT MEASUREMENTS.
NMRアンサンブル
コンフォーマー選択の基準: LEAST RESTRAINT VIOLATION 計算したコンフォーマーの数: 20 / 登録したコンフォーマーの数: 20