手法: simulated annealing / ソフトェア番号: 3 詳細: First round of structure calculation was conducted with distance and dihedral angle restraints only. Second round was performed with electrostatics using both high temperature annealing and ...詳細: First round of structure calculation was conducted with distance and dihedral angle restraints only. Second round was performed with electrostatics using both high temperature annealing and low temperature annealing.
代表構造
選択基準: lowest energy
NMRアンサンブル
コンフォーマー選択の基準: 10 structures for lowest energy 計算したコンフォーマーの数: 100 / 登録したコンフォーマーの数: 10