NMR software | 名称 | バージョン | 開発者 | 分類 |
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CCPN_Analysis | 2 | CCPNchemical shift assignmentCCPN_Analysis | 2 | CCPNデータ解析 | CCPN_Analysis | 2 | CCPNpeak picking NMRPipe | | Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax解析 | MARS | | Markus Zweckstetterchemical shift assignment CYANA | 2 | Guntert, Mumenthaler and Wuthrichgeometry optimization Amber | 9 | Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman精密化 | | | | | | | | | | | |
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精密化 | 手法: molecular dynamics / ソフトェア番号: 1 |
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NMR constraints | NOE constraints total: 3573 / NOE intraresidue total count: 1507 / NOE long range total count: 727 / NOE medium range total count: 525 / NOE sequential total count: 814 / Protein chi angle constraints total count: 0 / Protein other angle constraints total count: 0 / Protein phi angle constraints total count: 74 / Protein psi angle constraints total count: 75 |
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代表構造 | 選択基準: lowest energy |
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NMRアンサンブル | コンフォーマー選択の基準: structures with the lowest energy 計算したコンフォーマーの数: 400 / 登録したコンフォーマーの数: 20 / Maximum torsion angle constraint violation: 0 ° / Maximum upper distance constraint violation: 0.33 Å |
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