NMR software | 名称 | 開発者 | 分類 |
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Amber | Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollmangeometry optimizationAmber | Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman精密化 | Amber | Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman構造決定 | Sparky | Goddardchemical shift assignmentSparky | Goddardデータ解析 | Sparky | Goddardpeak pickingTopSpin | Bruker BiospincollectionTopSpin | Bruker Biospin解析 | X-PLOR NIH | Schwieters, Kuszewski, Tjandra and Cloregeometry optimizationX-PLOR NIH | Schwieters, Kuszewski, Tjandra and Clore精密化 | X-PLOR NIH | Schwieters, Kuszewski, Tjandra and Clore構造決定 | | | | | | | | | | | | | | | | |
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精密化 | 手法: DGSA-distance geometry simulated annealing, simulated annealing, molecular dynamics ソフトェア番号: 1 詳細: Extracted distances from structure of free DNA (PDB entry 2A5P) were used during calculation |
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NMR constraints | NA chi-angle constraints total count: 24 / NOE constraints total: 111 |
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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: 100 / 登録したコンフォーマーの数: 10 |
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