Data Structure ?
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Data Structure ?
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README.md
内容
このデータセットには、分子動力学シミュレーションから得られた150万個のトリプケージ（trp - cage）タンパク質のコンフォメーションが含まれています。これらのコンフォメーションは、このタンパク質の全38個の主鎖二面角を含む二面角空間で記述されています。このデータは温度レプリカ交換シミュレーションスキームから取得されました。したがって、異なる温度でサンプリングされた異なるコンフォメーションがデータセットに与えられています。分析目的で、データセットにはまた、各コンフォメーションのネイティブな折りたたみ構造および完全なアルファヘリックス構造に対するC - アルファ二乗平均平方根偏差（rmsd）も含まれています。
このデータを公開された研究で使用する場合は、以下を引用してください。
レムケ（Lemke）, トビアス（Tobias）、およびクリスティン・ピーター（Christine Peter）。「エンコーダマップ：分子コンフォメーションの次元削減と生成」。化学理論と計算雑誌（2019）。
https://pubs.acs.org/doi/10.1021/acs.jctc.8b00975
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- 1. The data originates from internet data collection or provided by service providers, and this platform offers users the ability to view and browse datasets.
- 2. This platform serves only as a basic information display for datasets, including but not limited to image, text, video, and audio file types.
- 3. Basic dataset information comes from the original data source or the information provided by the data provider. If there are discrepancies in the dataset description, please refer to the original data source or service provider's address.
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