手法: simulated annealing / ソフトェア番号: 1 詳細: THE STRUCTURES WERE CALCULATED USING THE SIMULATED ANNEALING PROTOCOL OF NILGES ET AL. (1988) FEBS LETT. 229, 129-136 USING THE PROGRAM XPLOR 3.1 ( BRUNGER) MODIFIED TO INCORPORATE COUPLING ...詳細: THE STRUCTURES WERE CALCULATED USING THE SIMULATED ANNEALING PROTOCOL OF NILGES ET AL. (1988) FEBS LETT. 229, 129-136 USING THE PROGRAM XPLOR 3.1 ( BRUNGER) MODIFIED TO INCORPORATE COUPLING CONSTANTS (GARRETT EL AL. (1984) J. MAGN. RESON. SER. B 104, 99-103) AND A CONFORMATIONAL DATA BASE POTENTIAL ( KUSZEWSKI ET AL. (1996) PROTEIN SCI 5, 1067- 1080 AND (1997) J. MAGN. RESON. 125, 171-177).
NMRアンサンブル
コンフォーマー選択の基準: MINIMIZED MEAN STRUCTURE 計算したコンフォーマーの数: 30 / 登録したコンフォーマーの数: 1